4-(butylamino)-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(butylamino)-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(butylamino)-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide CAS Name: 4-(butylamino)-N-(2-chlorophenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(butylamino)-N-(2-chlorophenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(butylamino)-N-(2-chlorophenyl)-3-nitro-benzenesulfonamide Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O4S/c1-2-3-10-18-15-9-8-12(11-16(15)20(21)22)25(23,24)19-14-7-5-4-6-13(14)17/h4-9,11,18-19H,2-3,10H2,1H3