5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 2-methyl-5-(4-p-anisylpiperazino)sulfonyl-benzoic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H24N2O5S/c1-15-3-8-18(13-19(15)20(23)24)28(25,26)22-11-9-21(10-12-22)14-16-4-6-17(27-2)7-5-16/h3-8,13H,9-12,14H2,1-2H3,(H,23,24)