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

Systemtic Name: methyl 4-methyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]propylsulfamoyl]benzoate Openeye Name: methyl 3-[3-(4-benzylpiperazin-1-yl)propylsulfamoyl]-4-methyl-benzoate CAS Name: 4-methyl-3-[3-[4-(phenylmethyl)-1-piperazinyl]propylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperazin-1-yl)propylsulfamoyl]-4-methylbenzoate Traditional Name: 3-[3-(4-benzylpiperazino)propylsulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c1-19-9-10-21(23(27)30-2)17-22(19)31(28,29)24-11-6-12-25-13-15-26(16-14-25)18-20-7-4-3-5-8-20/h3-5,7-10,17,24H,6,11-16,18H2,1-2H3