4-(4-methylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Openeye Name: 3-[(4-isopropylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(p-cumenylsulfonylamino)benzoic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C

InChI

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