4-methyl-3-nitro-N-[(2-propan-2-ylphenyl)methyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[(2-propan-2-ylphenyl)methyl]benzenesulfonamide Openeye Name: N-[(2-isopropylphenyl)methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[(2-propan-2-ylphenyl)methyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[(2-propan-2-ylphenyl)methyl]benzenesulfonamide Traditional Name: N-(2-isopropylbenzyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O4S/c1-12(2)16-7-5-4-6-14(16)11-18-24(22,23)15-9-8-13(3)17(10-15)19(20)21/h4-10,12,18H,11H2,1-3H3