N-[(3R,4S)-4-(1-cyano-4-phenyl-cyclohexa-2,4-dien-1-yl)-1-propan-2-yl-pyrrolidin-3-yl]propane-2-sulfonamide

Systemtic Name: N-[(3R,4S)-4-(1-cyano-4-phenyl-cyclohexa-2,4-dien-1-yl)-1-propan-2-yl-pyrrolidin-3-yl]propane-2-sulfonamide Openeye Name: N-[(3R,4S)-4-(1-cyano-4-phenyl-cyclohexa-2,4-dien-1-yl)-1-isopropyl-pyrrolidin-3-yl]propane-2-sulfonamide CAS Name: N-[(3R,4S)-4-(1-cyano-4-phenyl-1-cyclohexa-2,4-dienyl)-1-propan-2-yl-3-pyrrolidinyl]-2-propanesulfonamide IUPAC Name: N-[(3R,4S)-4-(1-cyano-4-phenylcyclohexa-2,4-dien-1-yl)-1-propan-2-ylpyrrolidin-3-yl]propane-2-sulfonamide Traditional Name: N-[(3R,4S)-4-(1-cyano-4-phenyl-cyclohexa-2,4-dien-1-yl)-1-isopropyl-pyrrolidin-3-yl]propane-2-sulfonamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(C(C1)NS(=O)(=O)C(C)C)C2(CC=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)N1C[C@@H]([C@H](C1)NS(=O)(=O)C(C)C)C2(CC=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H31N3O2S/c1-17(2)26-14-21(22(15-26)25-29(27,28)18(3)4)23(16-24)12-10-20(11-13-23)19-8-6-5-7-9-19/h5-12,17-18,21-22,25H,13-15H2,1-4H3/t21-,22-,23?/m0/s1