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

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbonyl-piperazine-2-carboxylic acid Openeye Name: 1-[4-(tert-butoxycarbonylamino)cyclohexanecarbonyl]-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-[4-(tert-butoxycarbonylamino)cyclohexanecarbonyl]-4-[(6-chloro-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid Formula: C27H34ClN3O7S MolecularWeight: 580.09276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC(CC1)C(=O)N2CCN(CC2C(=O)O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C27H34ClN3O7S/c1-27(2,3)38-26(35)29-21-9-5-17(6-10-21)24(32)31-13-12-30(16-23(31)25(33)34)39(36,37)22-11-7-18-14-20(28)8-4-19(18)15-22/h4,7-8,11,14-15,17,21,23H,5-6,9-10,12-13,16H2,1-3H3,(H,29,35)(H,33,34)