3-[(2,5-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazino]benzoic acid Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H29N3O5S/c1-18-8-9-19(2)25(16-18)35(32,33)27-21-17-20(26(30)31)10-11-22(21)28-12-14-29(15-13-28)23-6-4-5-7-24(23)34-3/h4-11,16-17,27H,12-15H2,1-3H3,(H,30,31)