4-methyl-3-nitro-N-(4-propylphenyl)benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-(4-propylphenyl)benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-(4-propylphenyl)benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-(4-propylphenyl)benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-(4-propylphenyl)benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-(4-propylphenyl)benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S/c1-3-4-13-6-8-14(9-7-13)17-23(21,22)15-10-5-12(2)16(11-15)18(19)20/h5-11,17H,3-4H2,1-2H3