(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=CN3C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NN=CN3C

InChI

InChI=1S/C16H21N5O3S2/c1-12(25-16-19-17-11-20(16)2)15(22)18-13-5-7-14(8-6-13)26(23,24)21-9-3-4-10-21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,22)/t12-/m1/s1