4-(butylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(butylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(butylamino)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(butylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(butylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(butylamino)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O4S/c1-4-5-8-14-12-7-6-11(9-13(12)16(17)18)21(19,20)15-10(2)3/h6-7,9-10,14-15H,4-5,8H2,1-3H3