2-[3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3-methyl-5-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]acetic acid IUPAC Name: 2-[3-methyl-5-(4-phenylpiperazin-1-yl)sulfonylphenyl]acetic acid Traditional Name: 2-[3-methyl-5-(4-phenylpiperazino)sulfonyl-phenyl]acetic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H22N2O4S/c1-15-11-16(14-19(22)23)13-18(12-15)26(24,25)21-9-7-20(8-10-21)17-5-3-2-4-6-17/h2-6,11-13H,7-10,14H2,1H3,(H,22,23)