5-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(4-ethoxyphenyl)sulfonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-phenylpiperazino)-5-(p-phenetylsulfonylamino)benzoic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H27N3O5S/c1-2-33-21-9-11-22(12-10-21)34(31,32)26-19-8-13-24(23(18-19)25(29)30)28-16-14-27(15-17-28)20-6-4-3-5-7-20/h3-13,18,26H,2,14-17H2,1H3,(H,29,30)