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

Systemtic Name: tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-1-cyclohexanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]cyclohexanecarboxylic acid tert-butyl ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2CCCCC2C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5S/c1-6-7-16-27-17-12-14-18(15-13-17)29(25,26)23(5)20-11-9-8-10-19(20)21(24)28-22(2,3)4/h12-15,19-20H,8-11,16H2,1-5H3/t19-,20-/m1/s1