methyl 3-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylsulfamoyl]benzoate

Systemtic Name: methyl 3-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylsulfamoyl]benzoate Openeye Name: methyl 3-[[1-methyl-3-[4-(m-tolyl)piperazin-1-yl]propyl]sulfamoyl]benzoate CAS Name: 3-[4-[4-(3-methylphenyl)-1-piperazinyl]butan-2-ylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylsulfamoyl]benzoate Traditional Name: 3-[[1-methyl-3-[4-(m-tolyl)piperazino]propyl]sulfamoyl]benzoic acid methyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCC(C)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C23H31N3O4S/c1-18-6-4-8-21(16-18)26-14-12-25(13-15-26)11-10-19(2)24-31(28,29)22-9-5-7-20(17-22)23(27)30-3/h4-9,16-17,19,24H,10-15H2,1-3H3