(2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[(3,4-dimethylphenyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(3,4-dimethylphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[(3,4-dimethylphenyl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-6-9-19(14-16(15)2)27-17(3)21(24)22-18-7-10-20(11-8-18)28(25,26)23-12-4-5-13-23/h6-11,14,17H,4-5,12-13H2,1-3H3,(H,22,24)/t17-/m1/s1