[(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3-quinolin-8-ylsulfonyl-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: [(2S)-2-[bis(phenylmethyl)amino]propyl] 4-(2-oxidanylidene-3-quinolin-8-ylsulfonyl-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: [(2S)-2-(dibenzylamino)propyl] 4-[2-oxo-3-(8-quinolylsulfonyl)benzimidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[2-oxo-3-(8-quinolinylsulfonyl)-1-benzimidazolyl]-1-piperidinecarboxylic acid [(2S)-2-[bis(phenylmethyl)amino]propyl] ester IUPAC Name: [(2S)-2-(dibenzylamino)propyl] 4-(2-oxo-3-quinolin-8-ylsulfonylbenzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-3-(8-quinolylsulfonyl)benzimidazol-1-yl]piperidine-1-carboxylic acid [(2S)-2-(dibenzylamino)propyl] ester Formula: C39H39N5O5S MolecularWeight: 689.82246

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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=CC5=C4N=CC=C5)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=C4N=CC=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C39H39N5O5S/c1-29(42(26-30-12-4-2-5-13-30)27-31-14-6-3-7-15-31)28-49-39(46)41-24-21-33(22-25-41)43-34-18-8-9-19-35(34)44(38(43)45)50(47,48)36-20-10-16-32-17-11-23-40-37(32)36/h2-20,23,29,33H,21-22,24-28H2,1H3/t29-/m0/s1