4-(4-cyclopropylcarbonylpiperazin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4-cyclopropylcarbonylpiperazin-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(cyclopropanecarbonyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-3-21(4-2)28(26,27)15-7-8-16(17(13-15)22(24)25)19-9-11-20(12-10-19)18(23)14-5-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3