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

Systemtic Name: N-butyl-4-(butylamino)-3-nitro-benzenesulfonamide Openeye Name: N-butyl-4-(butylamino)-3-nitro-benzenesulfonamide CAS Name: N-butyl-4-(butylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-butyl-4-(butylamino)-3-nitrobenzenesulfonamide Traditional Name: N-butyl-4-(butylamino)-3-nitro-benzenesulfonamide Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NCCCC)[N+](=O)[O-]

InChI

InChI=1S/C14H23N3O4S/c1-3-5-9-15-13-8-7-12(11-14(13)17(18)19)22(20,21)16-10-6-4-2/h7-8,11,15-16H,3-6,9-10H2,1-2H3