(2R)-2-[(3-methylsulfanylphenyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[(3-methylsulfanylphenyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(3-methylsulfanylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[3-(methylthio)anilino]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(3-methylsulfanylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[3-(methylthio)anilino]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC3=CC(=CC=C3)SC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H25N3O3S2/c1-15(21-17-6-5-7-18(14-17)27-2)20(24)22-16-8-10-19(11-9-16)28(25,26)23-12-3-4-13-23/h5-11,14-15,21H,3-4,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1