1-tert-butyl-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2(C(=O)O)C(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2(C(=O)O)C(C)(C)C

InChI

InChI=1S/C21H29NO5S/c1-5-6-15-27-16-10-12-17(13-11-16)28(25,26)22-18-9-7-8-14-21(18,19(23)24)20(2,3)4/h10-13,18,22H,7-9,14-15H2,1-4H3,(H,23,24)