ethyl 4-[3-tert-butyl-5-methoxycarbonyl-4-(phenylcarbonyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-tert-butyl-5-methoxycarbonyl-4-(phenylcarbonyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-benzoyl-3-tert-butyl-5-methoxycarbonyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-benzoyl-3-tert-butyl-5-methoxycarbonylphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoyl-3-tert-butyl-5-methoxycarbonylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-benzoyl-3-tert-butyl-5-carbomethoxy-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H32N2O7S MolecularWeight: 516.60648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)OC)C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)OC)C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C26H32N2O7S/c1-6-35-25(31)27-12-14-28(15-13-27)36(32,33)19-16-20(24(30)34-5)22(21(17-19)26(2,3)4)23(29)18-10-8-7-9-11-18/h7-11,16-17H,6,12-15H2,1-5H3