N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-keto-3-[4-(2-methoxyphenyl)piperazino]propyl]-4-nitro-benzenesulfonamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-30-19-5-3-2-4-18(19)22-12-14-23(15-13-22)20(25)10-11-21-31(28,29)17-8-6-16(7-9-17)24(26)27/h2-9,21H,10-15H2,1H3