4-(butylamino)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(butylamino)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(butylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-(butylamino)-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(butylamino)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(butylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-2-3-11-17-15-10-9-14(12-16(15)19(20)21)24(22,23)18-13-7-5-4-6-8-13/h4-10,12,17-18H,2-3,11H2,1H3