N-(2-methyl-3-nitro-phenyl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-4-propyl-benzenesulfonamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-4-propyl-benzenesulfonamide CAS Name: N-(2-methyl-3-nitrophenyl)-4-propylbenzenesulfonamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-4-propylbenzenesulfonamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-4-propyl-benzenesulfonamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O4S/c1-3-5-13-8-10-14(11-9-13)23(21,22)17-15-6-4-7-16(12(15)2)18(19)20/h4,6-11,17H,3,5H2,1-2H3