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

Systemtic Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 4-methyl-3-(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)C(=O)O)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

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