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

Systemtic Name: tert-butyl 4-[[2-methyl-1-(4-methylphenyl)sulfonyl-benzimidazol-5-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-methyl-1-(p-tolylsulfonyl)benzimidazol-5-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-methyl-1-(4-methylphenyl)sulfonyl-5-benzimidazolyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-methyl-1-(4-methylphenyl)sulfonylbenzimidazol-5-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[(2-methyl-1-tosyl-benzimidazol-5-yl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3)NC4CCN(CC4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=NC3=C2C=CC(=C3)NC4CCN(CC4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H32N4O4S/c1-17-6-9-21(10-7-17)34(31,32)29-18(2)26-22-16-20(8-11-23(22)29)27-19-12-14-28(15-13-19)24(30)33-25(3,4)5/h6-11,16,19,27H,12-15H2,1-5H3