methyl 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylsulfamoyl]benzoate

Systemtic Name: methyl 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylsulfamoyl]benzoate Openeye Name: methyl 3-[3-[4-(m-tolyl)piperazin-1-yl]propylsulfamoyl]benzoate CAS Name: 3-[3-[4-(3-methylphenyl)-1-piperazinyl]propylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylsulfamoyl]benzoate Traditional Name: 3-[3-[4-(m-tolyl)piperazino]propylsulfamoyl]benzoic acid methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-18-6-3-8-20(16-18)25-14-12-24(13-15-25)11-5-10-23-30(27,28)21-9-4-7-19(17-21)22(26)29-2/h3-4,6-9,16-17,23H,5,10-15H2,1-2H3