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

Systemtic Name: N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-ethyl-pyrrolidin-3-yl]propane-2-sulfonamide Openeye Name: N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-ethyl-pyrrolidin-3-yl]propane-2-sulfonamide CAS Name: N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-ethyl-3-pyrrolidinyl]-2-propanesulfonamide IUPAC Name: N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-ethylpyrrolidin-3-yl]propane-2-sulfonamide Traditional Name: N-[(3R,4S)-4-[4-(4-cyanophenyl)phenyl]-1-ethyl-pyrrolidin-3-yl]propane-2-sulfonamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1)NS(=O)(=O)C(C)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C[C@@H]([C@H](C1)NS(=O)(=O)C(C)C)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N3O2S/c1-4-25-14-21(22(15-25)24-28(26,27)16(2)3)20-11-9-19(10-12-20)18-7-5-17(13-23)6-8-18/h5-12,16,21-22,24H,4,14-15H2,1-3H3/t21-,22+/m1/s1