4-[(2-ethylphenyl)methoxy]-2-methyl-2-(phenylsulfonyl)piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-[(2-ethylphenyl)methoxy]-2-methyl-2-(phenylsulfonyl)piperazine-1,3-dicarboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(2-ethylphenyl)methoxy]-2-methyl-piperazine-1,3-dicarboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(2-ethylphenyl)methoxy]-2-methylpiperazine-1,3-dicarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(2-ethylphenyl)methoxy]-2-methylpiperazine-1,3-dicarboxylic acid Traditional Name: 2-besyl-4-(2-ethylbenzyl)oxy-2-methyl-piperazine-1,3-dicarboxylic acid Formula: C22H26N2O7S MolecularWeight: 462.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CON2CCN(C(C2C(=O)O)(C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1CON2CCN(C(C2C(=O)O)(C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O7S/c1-3-16-9-7-8-10-17(16)15-31-24-14-13-23(21(27)28)22(2,19(24)20(25)26)32(29,30)18-11-5-4-6-12-18/h4-12,19H,3,13-15H2,1-2H3,(H,25,26)(H,27,28)