4-(4-cyclopropylcarbonylpiperazin-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4-cyclopropylcarbonylpiperazin-1-yl)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(cyclopropanecarbonyl)piperazino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O5S/c1-20(2)8-7-19-29(27,28)15-5-6-16(17(13-15)23(25)26)21-9-11-22(12-10-21)18(24)14-3-4-14/h5-6,13-14,19H,3-4,7-12H2,1-2H3