4-[3-[methylsulfonyl-[3-(1-oxidanylcyclohexyl)prop-2-ynyl]amino]propyl]benzoic acid

Systemtic Name: 4-[3-[methylsulfonyl-[3-(1-oxidanylcyclohexyl)prop-2-ynyl]amino]propyl]benzoic acid Openeye Name: 4-[3-[3-(1-hydroxycyclohexyl)prop-2-ynyl-methylsulfonyl-amino]propyl]benzoic acid CAS Name: 4-[3-[3-(1-hydroxycyclohexyl)prop-2-ynyl-methylsulfonylamino]propyl]benzoic acid IUPAC Name: 4-[3-[3-(1-hydroxycyclohexyl)prop-2-ynyl-methylsulfonylamino]propyl]benzoic acid Traditional Name: 4-[3-[3-(1-hydroxycyclohexyl)prop-2-ynyl-mesyl-amino]propyl]benzoic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC1=CC=C(C=C1)C(=O)O)CC#CC2(CCCCC2)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(C=C1)C(=O)O)CC#CC2(CCCCC2)O

InChI

InChI=1S/C20H27NO5S/c1-27(25,26)21(16-6-14-20(24)12-3-2-4-13-20)15-5-7-17-8-10-18(11-9-17)19(22)23/h8-11,24H,2-5,7,12-13,15-16H2,1H3,(H,22,23)