4-[3-(2-methylpropoxy)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-(2-methylpropoxy)propylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-(3-isobutoxypropylamino)-3-nitro-benzenesulfonamide CAS Name: 4-[3-(2-methylpropoxy)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(2-methylpropoxy)propylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-(3-isobutoxypropylamino)-3-nitro-benzenesulfonamide Formula: C13H21N3O5S MolecularWeight: 331.38794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)COCCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O5S/c1-10(2)9-21-7-3-6-15-12-5-4-11(22(14,19)20)8-13(12)16(17)18/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H2,14,19,20)