[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(3-methylsulfonyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(3-methylsulfonyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-(3-methylsulfonyl-2-oxo-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(3-methylsulfonyl-2-oxo-1-benzimidazolyl)-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(3-methylsulfonyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-3-mesyl-benzimidazol-1-yl)piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C31H36N4O5S MolecularWeight: 576.70634

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)S(=O)(=O)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C[C@@H](COC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)S(=O)(=O)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O5S/c1-24(33(21-25-11-5-3-6-12-25)22-26-13-7-4-8-14-26)23-40-31(37)32-19-17-27(18-20-32)34-28-15-9-10-16-29(28)35(30(34)36)41(2,38)39/h3-16,24,27H,17-23H2,1-2H3/t24-/m0/s1