1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-5-isobutyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-5-isobutyl-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(C(CN1C(=O)OC(C)(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC1CN(C(CN1C(=O)OC(C)(C)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H32N2O7S/c1-14(2)11-15-12-23(31(27,28)17-9-7-16(29-6)8-10-17)18(19(24)25)13-22(15)20(26)30-21(3,4)5/h7-10,14-15,18H,11-13H2,1-6H3,(H,24,25)