3-methyl-1-(4-phenylmethoxyphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 3-methyl-1-(4-phenylmethoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-(4-benzyloxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 3-methyl-1-(4-phenylmethoxyphenyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 3-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-(4-benzoxyphenyl)sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(N(CCN1)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

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