4-[[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxo-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-(4-isobutyrylpiperazino)-3-keto-propyl]amino]-3-nitro-benzenesulfonamide Formula: C17H25N5O6S MolecularWeight: 427.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O6S/c1-12(2)17(24)21-9-7-20(8-10-21)16(23)5-6-19-14-4-3-13(29(18,27)28)11-15(14)22(25)26/h3-4,11-12,19H,5-10H2,1-2H3,(H2,18,27,28)