tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate

Systemtic Name: tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate Openeye Name: tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclohexanecarboxylic acid tert-butyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO5S/c1-5-6-15-26-16-11-13-17(14-12-16)28(24,25)22-19-10-8-7-9-18(19)20(23)27-21(2,3)4/h11-14,18-19,22H,7-10,15H2,1-4H3/t18-,19-/m1/s1