tert-butyl N-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-thiomorpholin-4-ylcarbonyl-piperazin-1-yl]carbonylcyclohexyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-thiomorpholin-4-ylcarbonyl-piperazin-1-yl]carbonylcyclohexyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-(thiomorpholine-4-carbonyl)piperazine-1-carbonyl]cyclohexyl]carbamate CAS Name: N-[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-[oxo(thiomorpholin-4-yl)methyl]-1-piperazinyl]-oxomethyl]cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-(thiomorpholine-4-carbonyl)piperazine-1-carbonyl]cyclohexyl]carbamate Traditional Name: N-[4-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-(thiomorpholine-4-carbonyl)piperazine-1-carbonyl]cyclohexyl]carbamic acid tert-butyl ester Formula: C31H41ClN4O6S2 MolecularWeight: 665.26344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)N2CCN(CC2C(=O)N3CCSCC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)N2CCN(CC2C(=O)N3CCSCC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C31H41ClN4O6S2/c1-31(2,3)42-30(39)33-25-9-5-21(6-10-25)28(37)36-13-12-35(20-27(36)29(38)34-14-16-43-17-15-34)44(40,41)26-11-7-22-18-24(32)8-4-23(22)19-26/h4,7-8,11,18-19,21,25,27H,5-6,9-10,12-17,20H2,1-3H3,(H,33,39)