1-[3-[(Z)-C-methyl-N-[(4-methylphenyl)amino]carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(Z)-C-methyl-N-[(4-methylphenyl)amino]carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-[(Z)-C-methyl-N-(4-methylanilino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-[(1Z)-1-[(4-methylphenyl)hydrazinylidene]ethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(Z)-C-methyl-N-(4-methylanilino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-[(Z)-C-methyl-N-(p-toluidino)carbonimidoyl]phenyl]sulfonylisonipecotic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=C(C)C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N/N=C(/C)\C2=CC(=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25N3O4S/c1-15-6-8-19(9-7-15)23-22-16(2)18-4-3-5-20(14-18)29(27,28)24-12-10-17(11-13-24)21(25)26/h3-9,14,17,23H,10-13H2,1-2H3,(H,25,26)/b22-16-