4-methyl-N-[1-(2-methylphenyl)-2-nitro-ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[1-(2-methylphenyl)-2-nitro-ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-nitro-1-(o-tolyl)ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[1-(2-methylphenyl)-2-nitroethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[1-(2-methylphenyl)-2-nitroethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-nitro-1-(o-tolyl)ethyl]benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C[N+](=O)[O-])C2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C[N+](=O)[O-])C2=CC=CC=C2C

InChI

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