5-[[3-[(4-methoxyphenyl)carbamoylamino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-[(4-methoxyphenyl)carbamoylamino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-[(4-methoxyphenyl)carbamoylamino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-[[(4-methoxyanilino)-oxomethyl]amino]-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-[(4-methoxyphenyl)carbamoylamino]-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-[(4-methoxyphenyl)carbamoylamino]-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C36H28N4O10S2 MolecularWeight: 740.75832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O

InChI

InChI=1S/C36H28N4O10S2/c1-50-27-10-8-25(9-11-27)37-36(43)38-26-17-23(34(41)39-32-6-2-4-21-19-28(51(44,45)46)12-14-30(21)32)16-24(18-26)35(42)40-33-7-3-5-22-20-29(52(47,48)49)13-15-31(22)33/h2-20H,1H3,(H,39,41)(H,40,42)(H2,37,38,43)(H,44,45,46)(H,47,48,49)