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

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3-thiophen-2-ylsulfonyl-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-[2-oxo-3-(2-thienylsulfonyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-(2-oxo-3-thiophen-2-ylsulfonyl-1-benzimidazolyl)-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-3-thiophen-2-ylsulfonylbenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-(2-thienylsulfonyl)benzimidazol-1-yl]piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C34H36N4O5S2 MolecularWeight: 644.80344

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)S(=O)(=O)C4=CC=CS4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C[C@@H](COC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)S(=O)(=O)C4=CC=CS4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C34H36N4O5S2/c1-26(36(23-27-11-4-2-5-12-27)24-28-13-6-3-7-14-28)25-43-34(40)35-20-18-29(19-21-35)37-30-15-8-9-16-31(30)38(33(37)39)45(41,42)32-17-10-22-44-32/h2-17,22,26,29H,18-21,23-25H2,1H3/t26-/m0/s1