tert-butyl 4-[4-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]-2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]-2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-ethoxy-4-oxo-butanoyl)amino]-2-methyl-1-(p-tolylsulfonyl)benzimidazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-ethoxy-1,4-dioxobutyl)amino]-2-methyl-1-(4-methylphenyl)sulfonyl-5-benzimidazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-ethoxy-4-oxobutanoyl)amino]-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-ethoxy-4-keto-butanoyl)amino]-2-methyl-1-tosyl-benzimidazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H40N4O7S MolecularWeight: 612.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC2=C1N=C(N2S(=O)(=O)C3=CC=C(C=C3)C)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC2=C1N=C(N2S(=O)(=O)C3=CC=C(C=C3)C)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H40N4O7S/c1-7-41-27(37)15-14-26(36)33-28-24(22-16-18-34(19-17-22)30(38)42-31(4,5)6)12-13-25-29(28)32-21(3)35(25)43(39,40)23-10-8-20(2)9-11-23/h8-13,22H,7,14-19H2,1-6H3,(H,33,36)