N-(4-azanyl-3-nitro-phenyl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(4-azanyl-3-nitro-phenyl)-4-propyl-benzenesulfonamide Openeye Name: N-(4-amino-3-nitro-phenyl)-4-propyl-benzenesulfonamide CAS Name: N-(4-amino-3-nitrophenyl)-4-propylbenzenesulfonamide IUPAC Name: N-(4-amino-3-nitrophenyl)-4-propylbenzenesulfonamide Traditional Name: N-(4-amino-3-nitro-phenyl)-4-propyl-benzenesulfonamide Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-2-3-11-4-7-13(8-5-11)23(21,22)17-12-6-9-14(16)15(10-12)18(19)20/h4-10,17H,2-3,16H2,1H3