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

Systemtic Name: 4-(butylamino)-3-nitro-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-(butylamino)-3-nitro-benzenesulfonamide CAS Name: 4-(butylamino)-3-nitro-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-(butylamino)-3-nitrobenzenesulfonamide Traditional Name: N-benzyl-4-(butylamino)-3-nitro-benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-2-3-11-18-16-10-9-15(12-17(16)20(21)22)25(23,24)19-13-14-7-5-4-6-8-14/h4-10,12,18-19H,2-3,11,13H2,1H3