N-[(3R,4S)-4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-methyl-pyrrolidin-3-yl]propane-2-sulfonamide

Systemtic Name: N-[(3R,4S)-4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-methyl-pyrrolidin-3-yl]propane-2-sulfonamide Openeye Name: N-[(3R,4S)-4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-methyl-pyrrolidin-3-yl]propane-2-sulfonamide CAS Name: N-[(3R,4S)-4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-methyl-3-pyrrolidinyl]-2-propanesulfonamide IUPAC Name: N-[(3R,4S)-4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrolidin-3-yl]propane-2-sulfonamide Traditional Name: N-[(3R,4S)-4-[4-(1,3-benzodioxol-5-yl)phenyl]-1-methyl-pyrrolidin-3-yl]propane-2-sulfonamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC1CN(CC1C2=CC=C(C=C2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC(C)S(=O)(=O)N[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H26N2O4S/c1-14(2)28(24,25)22-19-12-23(3)11-18(19)16-6-4-15(5-7-16)17-8-9-20-21(10-17)27-13-26-20/h4-10,14,18-19,22H,11-13H2,1-3H3/t18-,19+/m1/s1