2-[3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-4-methyl-phenyl]acetic acid CAS Name: 2-[3-[[4-(2-cyanophenyl)-1-piperazinyl]sulfonyl]-4-methylphenyl]acetic acid IUPAC Name: 2-[3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]acetic acid Traditional Name: 2-[3-[4-(2-cyanophenyl)piperazino]sulfonyl-4-methyl-phenyl]acetic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)O)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H21N3O4S/c1-15-6-7-16(13-20(24)25)12-19(15)28(26,27)23-10-8-22(9-11-23)18-5-3-2-4-17(18)14-21/h2-7,12H,8-11,13H2,1H3,(H,24,25)