N-[(3R,4S)-1-methyl-4-[4-(4-methylphenyl)phenyl]pyrrolidin-3-yl]propane-2-sulfonamide

Systemtic Name: N-[(3R,4S)-1-methyl-4-[4-(4-methylphenyl)phenyl]pyrrolidin-3-yl]propane-2-sulfonamide Openeye Name: N-[(3R,4S)-1-methyl-4-[4-(p-tolyl)phenyl]pyrrolidin-3-yl]propane-2-sulfonamide CAS Name: N-[(3R,4S)-1-methyl-4-[4-(4-methylphenyl)phenyl]-3-pyrrolidinyl]-2-propanesulfonamide IUPAC Name: N-[(3R,4S)-1-methyl-4-[4-(4-methylphenyl)phenyl]pyrrolidin-3-yl]propane-2-sulfonamide Traditional Name: N-[(3R,4S)-1-methyl-4-[4-(p-tolyl)phenyl]pyrrolidin-3-yl]propane-2-sulfonamide Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3CN(CC3NS(=O)(=O)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)[C@H]3CN(C[C@@H]3NS(=O)(=O)C(C)C)C

InChI

InChI=1S/C21H28N2O2S/c1-15(2)26(24,25)22-21-14-23(4)13-20(21)19-11-9-18(10-12-19)17-7-5-16(3)6-8-17/h5-12,15,20-22H,13-14H2,1-4H3/t20-,21+/m1/s1