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

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(3-naphthalen-1-ylsulfonyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-[3-(1-naphthylsulfonyl)-2-oxo-benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-(1-naphthalenylsulfonyl)-2-oxo-1-benzimidazolyl]-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(3-naphthalen-1-ylsulfonyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-(1-naphthylsulfonyl)benzimidazol-1-yl]piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C40H40N4O5S MolecularWeight: 688.8344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)S(=O)(=O)C4=CC=CC5=CC=CC=C54)N(CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

C[C@@H](COC(=O)N1CCC(CC1)N2C3=CC=CC=C3N(C2=O)S(=O)(=O)C4=CC=CC5=CC=CC=C54)N(CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C40H40N4O5S/c1-30(42(27-31-13-4-2-5-14-31)28-32-15-6-3-7-16-32)29-49-40(46)41-25-23-34(24-26-41)43-36-20-10-11-21-37(36)44(39(43)45)50(47,48)38-22-12-18-33-17-8-9-19-35(33)38/h2-22,30,34H,23-29H2,1H3/t30-/m0/s1