4-[(2-methylphenyl)methoxy]-1-(phenylsulfonyl)piperazine-2-carboxylic acid

Systemtic Name: 4-[(2-methylphenyl)methoxy]-1-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-(o-tolylmethoxy)piperazine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(2-methylphenyl)methoxy]-2-piperazinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2-methylphenyl)methoxy]piperazine-2-carboxylic acid Traditional Name: 1-besyl-4-(2-methylbenzyl)oxy-piperazine-2-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CON2CCN(C(C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CON2CCN(C(C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

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