tert-butyl 4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)-5-(phenylmethoxymethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)-5-(phenylmethoxymethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 5-(benzyloxymethyl)-2-isobutyl-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)-5-(phenylmethoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)-5-(phenylmethoxymethyl)piperazine-1-carboxylate Traditional Name: 5-(benzoxymethyl)-2-isobutyl-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C28H40N2O6S MolecularWeight: 532.692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(C(CN1C(=O)OC(C)(C)C)COCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC1CN(C(CN1C(=O)OC(C)(C)C)COCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C28H40N2O6S/c1-21(2)16-23-18-30(37(32,33)26-14-12-25(34-6)13-15-26)24(17-29(23)27(31)36-28(3,4)5)20-35-19-22-10-8-7-9-11-22/h7-15,21,23-24H,16-20H2,1-6H3