N3-(4-methoxyphenyl)-N1-phenyl-4-quinolin-8-ylsulfonyl-piperazine-1,3-dicarboxamide

Systemtic Name: N3-(4-methoxyphenyl)-N1-phenyl-4-quinolin-8-ylsulfonyl-piperazine-1,3-dicarboxamide Openeye Name: N3-(4-methoxyphenyl)-N1-phenyl-4-(8-quinolylsulfonyl)piperazine-1,3-dicarboxamide CAS Name: N3-(4-methoxyphenyl)-N1-phenyl-4-(8-quinolinylsulfonyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide Traditional Name: N'-(4-methoxyphenyl)-N-phenyl-4-(8-quinolylsulfonyl)piperazine-1,3-dicarboxamide Formula: C28H27N5O5S MolecularWeight: 545.60948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H27N5O5S/c1-38-23-14-12-22(13-15-23)30-27(34)24-19-32(28(35)31-21-9-3-2-4-10-21)17-18-33(24)39(36,37)25-11-5-7-20-8-6-16-29-26(20)25/h2-16,24H,17-19H2,1H3,(H,30,34)(H,31,35)