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

Systemtic Name: tert-butyl 5-(hydroxymethyl)-4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)piperazine-1-carboxylate Openeye Name: tert-butyl 5-(hydroxymethyl)-2-isobutyl-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carboxylate CAS Name: 5-(hydroxymethyl)-4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(hydroxymethyl)-4-(4-methoxyphenyl)sulfonyl-2-(2-methylpropyl)piperazine-1-carboxylate Traditional Name: 2-isobutyl-4-(4-methoxyphenyl)sulfonyl-5-methylol-piperazine-1-carboxylic acid tert-butyl ester Formula: C21H34N2O6S MolecularWeight: 442.56946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O6S/c1-15(2)11-16-13-23(30(26,27)19-9-7-18(28-6)8-10-19)17(14-24)12-22(16)20(25)29-21(3,4)5/h7-10,15-17,24H,11-14H2,1-6H3