3-nitro-N-(phenylmethyl)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-N-(phenylmethyl)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-benzyl-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-(phenylmethyl)-N-propan-2-ylbenzenesulfonamide IUPAC Name: N-benzyl-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-benzyl-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-13(2)17(12-14-7-4-3-5-8-14)23(21,22)16-10-6-9-15(11-16)18(19)20/h3-11,13H,12H2,1-2H3