3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-(4-p-anisylpiperazino)sulfonylbenzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-26-17-7-5-15(6-8-17)14-20-9-11-21(12-10-20)27(24,25)18-4-2-3-16(13-18)19(22)23/h2-8,13H,9-12,14H2,1H3,(H,22,23)