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

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-nitro-benzamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-nitro-benzamide CAS Name: N-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]propyl]-2-nitrobenzamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-nitrobenzamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]sulfonylpropyl]-2-nitro-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-31-18-9-7-17(8-10-18)23-12-14-24(15-13-23)32(29,30)16-4-11-22-21(26)19-5-2-3-6-20(19)25(27)28/h2-3,5-10H,4,11-16H2,1H3,(H,22,26)