(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(1-ethyl-2-benzimidazolyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(1-ethylbenzimidazol-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-3-26-20-9-5-4-8-19(20)24-22(26)30-16(2)21(27)23-17-10-12-18(13-11-17)31(28,29)25-14-6-7-15-25/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,23,27)/t16-/m1/s1