N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-esyl-isonipecotamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H28N4O3S/c1-2-31(29,30)27-14-12-18(13-15-27)23(28)26-21(16-17-8-4-3-5-9-17)22-24-19-10-6-7-11-20(19)25-22/h3-11,18,21H,2,12-16H2,1H3,(H,24,25)(H,26,28)/t21-/m0/s1