methyl (1R,2R,5R)-5-(1-adamantyloxycarbonylamino)-2-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R,5R)-5-(1-adamantyloxycarbonylamino)-2-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate Openeye Name: methyl (1R,2R,5R)-5-(1-adamantyloxycarbonylamino)-2-(p-tolylsulfonylamino)cyclohexanecarboxylate CAS Name: (1R,2R,5R)-5-[[1-adamantyloxy(oxo)methyl]amino]-2-[(4-methylphenyl)sulfonylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,5R)-5-(1-adamantyloxycarbonylamino)-2-[(4-methylphenyl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: (1R,2R,5R)-5-(1-adamantyloxycarbonylamino)-2-(tosylamino)cyclohexanecarboxylic acid methyl ester Formula: C26H36N2O6S MolecularWeight: 504.63884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCC(CC2C(=O)OC)NC(=O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@H](C[C@H]2C(=O)OC)NC(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N2O6S/c1-16-3-6-21(7-4-16)35(31,32)28-23-8-5-20(12-22(23)24(29)33-2)27-25(30)34-26-13-17-9-18(14-26)11-19(10-17)15-26/h3-4,6-7,17-20,22-23,28H,5,8-15H2,1-2H3,(H,27,30)/t17?,18?,19?,20-,22-,23-,26?/m1/s1