N,N-diethyl-4-(3-methylbutylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(3-methylbutylamino)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(isopentylamino)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(3-methylbutylamino)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(3-methylbutylamino)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(isoamylamino)-3-nitro-benzenesulfonamide Formula: C15H25N3O4S MolecularWeight: 343.4417

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H25N3O4S/c1-5-17(6-2)23(21,22)13-7-8-14(15(11-13)18(19)20)16-10-9-12(3)4/h7-8,11-12,16H,5-6,9-10H2,1-4H3