tert-butyl 4-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonyl-3-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonyl-3-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-(tert-butoxycarbamoyl)-4-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonyl]-3-[[(2-methylpropan-2-yl)oxyamino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonyl-3-[(2-methylpropan-2-yl)oxycarbamoyl]piperazine-1-carboxylate Traditional Name: 3-(tert-butoxycarbamoyl)-4-[4-(4-chlorobenzoyl)piperidino]sulfonyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C26H39ClN4O7S MolecularWeight: 587.12846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NOC(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)NOC(C)(C)C)S(=O)(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H39ClN4O7S/c1-25(2,3)37-24(34)29-15-16-31(21(17-29)23(33)28-38-26(4,5)6)39(35,36)30-13-11-19(12-14-30)22(32)18-7-9-20(27)10-8-18/h7-10,19,21H,11-17H2,1-6H3,(H,28,33)