N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-nitro-benzamide CAS Name: N-[2-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(2-methoxyphenyl)piperazino]sulfonylethyl]-3-nitro-benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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