(2S)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2S)-2-(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2S)-2-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-benzyl-2-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]propionamide Formula: C24H30N4O3S2 MolecularWeight: 486.65

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SC(C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1S[C@@H](C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S2/c1-3-28-22-13-12-20(33(30,31)27-14-8-5-9-15-27)16-21(22)26-24(28)32-18(2)23(29)25-17-19-10-6-4-7-11-19/h4,6-7,10-13,16,18H,3,5,8-9,14-15,17H2,1-2H3,(H,25,29)/t18-/m0/s1