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

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-2-(2-methylpropyl)-4-(phenylmethyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzylsulfonyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-piperazine-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-2-(2-methylpropyl)-4-(phenylmethyl)sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-benzylsulfonyl-1-(4-tert-butyl-3-methoxybenzoyl)-2-(2-methylpropyl)piperazine-2-carboxylic acid Traditional Name: 4-benzylsulfonyl-1-(4-tert-butyl-3-methoxy-benzoyl)-2-isobutyl-piperazine-2-carboxylic acid Formula: C28H38N2O6S MolecularWeight: 530.67612

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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)CC3=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)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H38N2O6S/c1-20(2)17-28(26(32)33)19-29(37(34,35)18-21-10-8-7-9-11-21)14-15-30(28)25(31)22-12-13-23(27(3,4)5)24(16-22)36-6/h7-13,16,20H,14-15,17-19H2,1-6H3,(H,32,33)