ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbonyl-piperazine-2-carboxylate

Systemtic Name: ethyl 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbonyl-piperazine-2-carboxylate Openeye Name: ethyl 1-[4-(tert-butoxycarbonylamino)cyclohexanecarbonyl]-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylate CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]-oxomethyl]-2-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]piperazine-2-carboxylate Traditional Name: 1-[4-(tert-butoxycarbonylamino)cyclohexanecarbonyl]-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid ethyl ester Formula: C29H38ClN3O7S MolecularWeight: 608.14592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CCN1C(=O)C2CCC(CC2)NC(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CN(CCN1C(=O)C2CCC(CC2)NC(=O)OC(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C29H38ClN3O7S/c1-5-39-27(35)25-18-32(41(37,38)24-13-9-20-16-22(30)10-6-21(20)17-24)14-15-33(25)26(34)19-7-11-23(12-8-19)31-28(36)40-29(2,3)4/h6,9-10,13,16-17,19,23,25H,5,7-8,11-12,14-15,18H2,1-4H3,(H,31,36)