1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(phenylsulfonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-piperazine-2-carboxylic acid CAS Name: 4-(benzenesulfonyl)-1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 4-besyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-piperazine-2-carboxylic acid Formula: C27H36N2O6S MolecularWeight: 516.64954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC1(CN(CCN1C(=O)C2=CC(=C(C=C2)C(C)(C)C)OC)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H36N2O6S/c1-19(2)17-27(25(31)32)18-28(36(33,34)21-10-8-7-9-11-21)14-15-29(27)24(30)20-12-13-22(26(3,4)5)23(16-20)35-6/h7-13,16,19H,14-15,17-18H2,1-6H3,(H,31,32)