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

Systemtic Name: 4-[3-[methylsulfonyl-[1-(1-oxidanylcyclohexyl)prop-2-ynyl]amino]propyl]benzoic acid Openeye Name: 4-[3-[1-(1-hydroxycyclohexyl)prop-2-ynyl-methylsulfonyl-amino]propyl]benzoic acid CAS Name: 4-[3-[1-(1-hydroxycyclohexyl)prop-2-ynyl-methylsulfonylamino]propyl]benzoic acid IUPAC Name: 4-[3-[1-(1-hydroxycyclohexyl)prop-2-ynyl-methylsulfonylamino]propyl]benzoic acid Traditional Name: 4-[3-[1-(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)C(C#C)C2(CCCCC2)O

Isomeric SMILES

CS(=O)(=O)N(CCCC1=CC=C(C=C1)C(=O)O)C(C#C)C2(CCCCC2)O

InChI

InChI=1S/C20H27NO5S/c1-3-18(20(24)13-5-4-6-14-20)21(27(2,25)26)15-7-8-16-9-11-17(12-10-16)19(22)23/h1,9-12,18,24H,4-8,13-15H2,2H3,(H,22,23)