N-[(2R)-1-cyano-3-naphthalen-1-yl-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-cyano-3-naphthalen-1-yl-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(cyanomethyl)-2-(1-naphthyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-cyano-3-(1-naphthalenyl)propan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-cyano-3-naphthalen-1-ylpropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(cyanomethyl)-2-(1-naphthyl)ethyl]-2-nitro-benzenesulfonamide Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(CC#N)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C[C@H](CC#N)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c21-13-12-17(14-16-8-5-7-15-6-1-2-9-18(15)16)22-28(26,27)20-11-4-3-10-19(20)23(24)25/h1-11,17,22H,12,14H2/t17-/m0/s1