3-[(4-ethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

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