N-[(2R)-1-cyano-3-(4-methoxyphenyl)propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-cyano-3-(4-methoxyphenyl)propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(cyanomethyl)-2-(4-methoxyphenyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-cyano-3-(4-methoxyphenyl)propan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-cyano-3-(4-methoxyphenyl)propan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(cyanomethyl)-2-(4-methoxyphenyl)ethyl]-2-nitro-benzenesulfonamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CC#N)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H](CC#N)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-25-15-8-6-13(7-9-15)12-14(10-11-18)19-26(23,24)17-5-3-2-4-16(17)20(21)22/h2-9,14,19H,10,12H2,1H3/t14-/m0/s1