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

Systemtic Name: tert-butyl 2-[[4-[4-(6-chloranylnaphthalen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexyl]amino]ethanoate Openeye Name: tert-butyl 2-[[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]cyclohexyl]amino]acetate CAS Name: 2-[[4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-piperazinyl]-oxomethyl]cyclohexyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]amino]acetate Traditional Name: 2-[[4-[4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-1-carbonyl]cyclohexyl]amino]acetic acid tert-butyl ester Formula: C27H36ClN3O5S MolecularWeight: 550.10984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CNC1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H36ClN3O5S/c1-27(2,3)36-25(32)18-29-23-9-5-19(6-10-23)26(33)30-12-14-31(15-13-30)37(34,35)24-11-7-20-16-22(28)8-4-21(20)17-24/h4,7-8,11,16-17,19,23,29H,5-6,9-10,12-15,18H2,1-3H3