(5E)-2-[3-[(4-methylphenyl)sulfonylamino]cyclohexyl]octa-5,7-dienoic acid

Systemtic Name: (5E)-2-[3-[(4-methylphenyl)sulfonylamino]cyclohexyl]octa-5,7-dienoic acid Openeye Name: (5E)-2-[3-(p-tolylsulfonylamino)cyclohexyl]octa-5,7-dienoic acid CAS Name: (5E)-2-[3-[(4-methylphenyl)sulfonylamino]cyclohexyl]octa-5,7-dienoic acid IUPAC Name: (5E)-2-[3-[(4-methylphenyl)sulfonylamino]cyclohexyl]octa-5,7-dienoic acid Traditional Name: (5E)-2-[3-(tosylamino)cyclohexyl]octa-5,7-dienoic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC(C2)C(CCC=CC=C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC(C2)C(CC/C=C/C=C)C(=O)O

InChI

InChI=1S/C21H29NO4S/c1-3-4-5-6-10-20(21(23)24)17-8-7-9-18(15-17)22-27(25,26)19-13-11-16(2)12-14-19/h3-5,11-14,17-18,20,22H,1,6-10,15H2,2H3,(H,23,24)/b5-4+