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

Systemtic Name: methyl 3-[3-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate Openeye Name: methyl 3-[3-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate CAS Name: 3-[3-(4-phenyl-1-piperazinyl)propylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate Traditional Name: 3-[3-(4-phenylpiperazino)propylsulfamoyl]benzoic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-28-21(25)18-7-5-10-20(17-18)29(26,27)22-11-6-12-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h2-5,7-10,17,22H,6,11-16H2,1H3