(phenylmethyl) 3-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoate hydrochloride

Systemtic Name: (phenylmethyl) 3-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoate hydrochloride Openeye Name: benzyl 3-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoate hydrochloride CAS Name: 3-(dimethylsulfamoyl)-4-(4-methyl-1-piperazinyl)benzoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 3-(dimethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzoate hydrochloride Traditional Name: 3-(dimethylsulfamoyl)-4-(4-methylpiperazino)benzoic acid benzyl ester hydrochloride Formula: C21H28ClN3O4S MolecularWeight: 453.98272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)N(C)C.Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)N(C)C.Cl

InChI

InChI=1S/C21H27N3O4S.ClH/c1-22(2)29(26,27)20-15-18(21(25)28-16-17-7-5-4-6-8-17)9-10-19(20)24-13-11-23(3)12-14-24;/h4-10,15H,11-14,16H2,1-3H3;1H