6-methylimino-5-[2-[5-[[methyl-[4-morpholin-4-yl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 6-methylimino-5-[2-[5-[[methyl-[4-morpholin-4-yl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 6-methylimino-5-[2-[5-[[methyl-[4-morpholino-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazino]-4-oxo-naphthalene-2-sulfonic acid CAS Name: 6-methylimino-5-[[5-[[methyl-[4-(4-morpholinyl)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]methyl]-2-sulfophenyl]hydrazo]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: 6-methylimino-5-[2-[5-[[methyl-[4-morpholin-4-yl-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]methyl]-2-sulfophenyl]hydrazinyl]-4-oxonaphthalene-2-sulfonic acid Traditional Name: 4-keto-6-methylimino-5-[N'-[5-[[methyl-[4-morpholino-6-(3-sulfoanilino)-s-triazin-2-yl]amino]methyl]-2-sulfo-phenyl]hydrazino]naphthalene-2-sulfonic acid Formula: C32H33N9O11S3 MolecularWeight: 815.85312

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=CC(=C3)CN(C)C4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)O)N6CCOCC6)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=CC(=C3)CN(C)C4=NC(=NC(=N4)NC5=CC(=CC=C5)S(=O)(=O)O)N6CCOCC6)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C32H33N9O11S3/c1-33-24-8-7-20-15-23(54(46,47)48)17-26(42)28(20)29(24)39-38-25-14-19(6-9-27(25)55(49,50)51)18-40(2)31-35-30(36-32(37-31)41-10-12-52-13-11-41)34-21-4-3-5-22(16-21)53(43,44)45/h3-9,14-17,38-39H,10-13,18H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,34,35,36,37)