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

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]propyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-[4-(4-methoxyphenyl)piperazino]sulfonylpropyl]-2-methyl-3-nitro-benzamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O6S/c1-17-20(5-3-6-21(17)26(28)29)22(27)23-11-4-16-33(30,31)25-14-12-24(13-15-25)18-7-9-19(32-2)10-8-18/h3,5-10H,4,11-16H2,1-2H3,(H,23,27)