2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]hex-5-enoic acid

Systemtic Name: 2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]hex-5-enoic acid Openeye Name: 2-cyclohexyl-2-[[(E)-2-(m-tolyl)vinyl]sulfonylamino]hex-5-enoic acid CAS Name: 2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]-5-hexenoic acid IUPAC Name: 2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]hex-5-enoic acid Traditional Name: 2-cyclohexyl-2-[[(E)-2-(m-tolyl)vinyl]sulfonylamino]hex-5-enoic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CS(=O)(=O)NC(CCC=C)(C2CCCCC2)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/S(=O)(=O)NC(CCC=C)(C2CCCCC2)C(=O)O

InChI

InChI=1S/C21H29NO4S/c1-3-4-14-21(20(23)24,19-11-6-5-7-12-19)22-27(25,26)15-13-18-10-8-9-17(2)16-18/h3,8-10,13,15-16,19,22H,1,4-7,11-12,14H2,2H3,(H,23,24)/b15-13+