[[4-[2-(4-chlorophenyl)carbonylhydrazinyl]phenyl]amino] 3-[2-(2,5-dimethylpyridin-1-ium-1-yl)ethylsulfonylamino]benzenesulfonate

Systemtic Name: [[4-[2-(4-chlorophenyl)carbonylhydrazinyl]phenyl]amino] 3-[2-(2,5-dimethylpyridin-1-ium-1-yl)ethylsulfonylamino]benzenesulfonate Openeye Name: [4-[2-(4-chlorobenzoyl)hydrazino]anilino] 3-[2-(2,5-dimethylpyridin-1-ium-1-yl)ethylsulfonylamino]benzenesulfonate CAS Name: 3-[2-(2,5-dimethyl-1-pyridin-1-iumyl)ethylsulfonylamino]benzenesulfonic acid [4-[[(4-chlorophenyl)-oxomethyl]hydrazo]anilino] ester IUPAC Name: [4-[2-(4-chlorobenzoyl)hydrazinyl]anilino] 3-[2-(2,5-dimethylpyridin-1-ium-1-yl)ethylsulfonylamino]benzenesulfonate Traditional Name: 3-[2-(2,5-dimethylpyridin-1-ium-1-yl)ethylsulfonylamino]benzenesulfonic acid [4-[N'-(4-chlorobenzoyl)hydrazino]anilino] ester Formula: C28H29ClN5O6S2+ MolecularWeight: 631.14276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C=C1)C)CCS(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)ONC3=CC=C(C=C3)NNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C[N+](=C(C=C1)C)CCS(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)ONC3=CC=C(C=C3)NNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H28ClN5O6S2/c1-20-6-7-21(2)34(19-20)16-17-41(36,37)33-26-4-3-5-27(18-26)42(38,39)40-32-25-14-12-24(13-15-25)30-31-28(35)22-8-10-23(29)11-9-22/h3-15,18-19,30,32-33H,16-17H2,1-2H3/p+1