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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H26N4O3S2/c30-25(19-12-14-29(15-13-19)34(31,32)23-11-6-16-33-23)28-22(17-18-7-2-1-3-8-18)24-26-20-9-4-5-10-21(20)27-24/h1-11,16,19,22H,12-15,17H2,(H,26,27)(H,28,30)/t22-/m0/s1