3,4,5-triethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 3,4,5-triethoxy-N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]benzamide Formula: C27H39N3O6S MolecularWeight: 533.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C27H39N3O6S/c1-5-34-24-19-22(20-25(35-6-2)26(24)36-7-3)27(31)28-12-9-17-37(32,33)30-15-13-29(14-16-30)23-11-8-10-21(4)18-23/h8,10-11,18-20H,5-7,9,12-17H2,1-4H3,(H,28,31)