4-[(2,5-dimethylphenyl)methoxy]-3-methyl-1-(phenylsulfonyl)piperazine-2-carboxylic acid

Systemtic Name: 4-[(2,5-dimethylphenyl)methoxy]-3-methyl-1-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(2,5-dimethylphenyl)methoxy]-3-methyl-piperazine-2-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(2,5-dimethylphenyl)methoxy]-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(2,5-dimethylphenyl)methoxy]-3-methylpiperazine-2-carboxylic acid Traditional Name: 1-besyl-4-(2,5-dimethylbenzyl)oxy-3-methyl-piperazine-2-carboxylic acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1OCC2=C(C=CC(=C2)C)C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CCN1OCC2=C(C=CC(=C2)C)C)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-15-9-10-16(2)18(13-15)14-28-22-11-12-23(20(17(22)3)21(24)25)29(26,27)19-7-5-4-6-8-19/h4-10,13,17,20H,11-12,14H2,1-3H3,(H,24,25)