1-(4-methoxyphenyl)sulfonyl-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O7S/c1-28-16-7-9-17(10-8-16)30(26,27)22-12-11-21(13-18(22)19(23)24)20(25)29-14-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,23,24)