2-(4-cyclopropylcarbonylpiperazin-1-yl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-yl)-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H24N4O6S/c1-31-19-5-3-2-4-17(19)22-32(29,30)20-14-16(25(27)28)8-9-18(20)23-10-12-24(13-11-23)21(26)15-6-7-15/h2-5,8-9,14-15,22H,6-7,10-13H2,1H3