4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C)C

InChI

InChI=1S/C21H27N3O4S/c1-14-11-16(3)20(12-15(14)2)29(27,28)22-18-13-17(21(25)26)5-6-19(18)24-9-7-23(4)8-10-24/h5-6,11-13,22H,7-10H2,1-4H3,(H,25,26)