methyl 4-methyl-3-[2-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate Openeye Name: methyl 4-methyl-3-[2-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate CAS Name: 4-methyl-3-[2-(4-phenyl-1-piperazinyl)propylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[2-(4-phenylpiperazin-1-yl)propylsulfamoyl]benzoate Traditional Name: 4-methyl-3-[2-(4-phenylpiperazino)propylsulfamoyl]benzoic acid methyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-17-9-10-19(22(26)29-3)15-21(17)30(27,28)23-16-18(2)24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,18,23H,11-14,16H2,1-3H3