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

Systemtic Name: (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(1-methyl-2-benzimidazolyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(1-methylbenzimidazol-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4N3C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C21H24N4O3S2/c1-15(29-21-23-18-7-3-4-8-19(18)24(21)2)20(26)22-16-9-11-17(12-10-16)30(27,28)25-13-5-6-14-25/h3-4,7-12,15H,5-6,13-14H2,1-2H3,(H,22,26)/t15-/m1/s1