(2R)-N-cyclopropyl-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2R)-N-cyclopropyl-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2R)-N-cyclopropyl-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]-2-phenyl-acetamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C4=CC=CC=C4)C(=O)NC5CC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1S[C@H](C4=CC=CC=C4)C(=O)NC5CC5

InChI

InChI=1S/C25H30N4O3S2/c1-2-29-22-14-13-20(34(31,32)28-15-7-4-8-16-28)17-21(22)27-25(29)33-23(18-9-5-3-6-10-18)24(30)26-19-11-12-19/h3,5-6,9-10,13-14,17,19,23H,2,4,7-8,11-12,15-16H2,1H3,(H,26,30)/t23-/m1/s1