N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[2-[[4-(4-chlorophenyl)-1-piperazinyl]sulfonyl]ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[2-[4-(4-chlorophenyl)piperazino]sulfonylethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H25ClN4O7S MolecularWeight: 512.9638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25ClN4O7S/c1-32-19-13-17(18(26(28)29)14-20(19)33-2)21(27)23-7-12-34(30,31)25-10-8-24(9-11-25)16-5-3-15(22)4-6-16/h3-6,13-14H,7-12H2,1-2H3,(H,23,27)