3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)C

InChI

InChI=1S/C24H29N3O5S/c1-17-8-9-20(16-18(17)2)33(30,31)26-13-10-19(11-14-26)23(28)32-15-5-12-27-22-7-4-3-6-21(22)25-24(27)29/h3-4,6-9,16,19H,5,10-15H2,1-2H3,(H,25,29)