2-[2-[2-azanylidene-6-[methyl(phenyl)sulfamoyl]-8-oxidanylidene-naphthalen-1-yl]hydrazinyl]-5-(2-chloranylethanoylamino)benzenesulfonic acid

Systemtic Name: 2-[2-[2-azanylidene-6-[methyl(phenyl)sulfamoyl]-8-oxidanylidene-naphthalen-1-yl]hydrazinyl]-5-(2-chloranylethanoylamino)benzenesulfonic acid Openeye Name: 5-[(2-chloroacetyl)amino]-2-[2-[2-imino-6-[methyl(phenyl)sulfamoyl]-8-oxo-1-naphthyl]hydrazino]benzenesulfonic acid CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2-[[2-imino-6-[methyl(phenyl)sulfamoyl]-8-oxo-1-naphthalenyl]hydrazo]benzenesulfonic acid IUPAC Name: 5-[(2-chloroacetyl)amino]-2-[2-[2-imino-6-[methyl(phenyl)sulfamoyl]-8-oxonaphthalen-1-yl]hydrazinyl]benzenesulfonic acid Traditional Name: 5-[(2-chloroacetyl)amino]-2-[N'-[2-imino-8-keto-6-[methyl(phenyl)sulfamoyl]-1-naphthyl]hydrazino]besylic acid Formula: C25H22ClN5O7S2 MolecularWeight: 604.05448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=O)C3=C(C(=N)C=CC3=C2)NNC4=C(C=C(C=C4)NC(=O)CCl)S(=O)(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=O)C3=C(C(=N)C=CC3=C2)NNC4=C(C=C(C=C4)NC(=O)CCl)S(=O)(=O)O

InChI

InChI=1S/C25H22ClN5O7S2/c1-31(17-5-3-2-4-6-17)39(34,35)18-11-15-7-9-19(27)25(24(15)21(32)13-18)30-29-20-10-8-16(28-23(33)14-26)12-22(20)40(36,37)38/h2-13,27,29-30H,14H2,1H3,(H,28,33)(H,36,37,38)