3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(4-methylpiperazino)benzoic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H25N3O6S/c1-22-8-10-23(11-9-22)17-6-4-14(20(24)25)12-16(17)21-30(26,27)15-5-7-18(28-2)19(13-15)29-3/h4-7,12-13,21H,8-11H2,1-3H3,(H,24,25)