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

Systemtic Name: N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-2-nitro-benzenesulfonamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CC#N)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@H](CC#N)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c19-10-9-14(11-13-12-20-16-6-2-1-5-15(13)16)21-27(25,26)18-8-4-3-7-17(18)22(23)24/h1-8,12,14,20-21H,9,11H2/t14-/m0/s1