2-[[(4-chloranyl-2-methyl-phenyl)amino]-(methylideneamino)amino]-5-[methyl(2-sulfoethyl)sulfamoyl]benzoic acid

Systemtic Name: 2-[[(4-chloranyl-2-methyl-phenyl)amino]-(methylideneamino)amino]-5-[methyl(2-sulfoethyl)sulfamoyl]benzoic acid Openeye Name: 2-[(4-chloro-2-methyl-anilino)-(methyleneamino)amino]-5-[methyl(2-sulfoethyl)sulfamoyl]benzoic acid CAS Name: 2-[(4-chloro-2-methylanilino)-(methyleneamino)amino]-5-[methyl(2-sulfoethyl)sulfamoyl]benzoic acid IUPAC Name: 2-[(4-chloro-2-methylanilino)-(methylideneamino)amino]-5-[methyl(2-sulfoethyl)sulfamoyl]benzoic acid Traditional Name: 2-[(4-chloro-2-methyl-anilino)-(methyleneamino)amino]-5-[methyl(2-sulfoethyl)sulfamoyl]benzoic acid Formula: C18H21ClN4O7S2 MolecularWeight: 504.96494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)N(C)CCS(=O)(=O)O)C(=O)O)N=C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NN(C2=C(C=C(C=C2)S(=O)(=O)N(C)CCS(=O)(=O)O)C(=O)O)N=C

InChI

InChI=1S/C18H21ClN4O7S2/c1-12-10-13(19)4-6-16(12)21-23(20-2)17-7-5-14(11-15(17)18(24)25)32(29,30)22(3)8-9-31(26,27)28/h4-7,10-11,21H,2,8-9H2,1,3H3,(H,24,25)(H,26,27,28)