N-[(2R,4R)-4-(1,3-benzodioxol-5-yl)-4-cyano-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R,4R)-4-(1,3-benzodioxol-5-yl)-4-cyano-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,3R)-3-(1,3-benzodioxol-5-yl)-1-benzyl-3-cyano-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R,4R)-4-(1,3-benzodioxol-5-yl)-4-cyano-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R,4R)-4-(1,3-benzodioxol-5-yl)-4-cyano-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,3R)-3-(1,3-benzodioxol-5-yl)-1-benzyl-3-cyano-propyl]-4-methyl-benzenesulfonamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)CC(C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H](C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H24N2O4S/c1-18-7-10-23(11-8-18)32(28,29)27-22(13-19-5-3-2-4-6-19)14-21(16-26)20-9-12-24-25(15-20)31-17-30-24/h2-12,15,21-22,27H,13-14,17H2,1H3/t21-,22-/m0/s1