tert-butyl 2-[[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]amino]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]amino]imidazole-1-carboxylate Openeye Name: tert-butyl 2-[[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]cyclohexyl]amino]imidazole-1-carboxylate CAS Name: 2-[[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]cyclohexyl]amino]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]amino]imidazole-1-carboxylate Traditional Name: 2-[[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]cyclohexyl]amino]imidazole-1-carboxylic acid tert-butyl ester Formula: C29H36ClN5O5S MolecularWeight: 602.14464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CN=C1NC2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CN=C1NC2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C29H36ClN5O5S/c1-29(2,3)40-28(37)35-13-12-31-27(35)32-24-9-5-20(6-10-24)26(36)33-14-16-34(17-15-33)41(38,39)25-11-7-21-18-23(30)8-4-22(21)19-25/h4,7-8,11-13,18-20,24H,5-6,9-10,14-17H2,1-3H3,(H,31,32)