(E)-6-[6-[[(4-methylphenyl)sulfonylamino]methyl]cyclohex-3-en-1-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[6-[[(4-methylphenyl)sulfonylamino]methyl]cyclohex-3-en-1-yl]hex-5-enoic acid Openeye Name: (E)-6-[6-[(p-tolylsulfonylamino)methyl]cyclohex-3-en-1-yl]hex-5-enoic acid CAS Name: (E)-6-[6-[[(4-methylphenyl)sulfonylamino]methyl]-1-cyclohex-3-enyl]-5-hexenoic acid IUPAC Name: (E)-6-[6-[[(4-methylphenyl)sulfonylamino]methyl]cyclohex-3-en-1-yl]hex-5-enoic acid Traditional Name: (E)-6-[6-[(tosylamino)methyl]cyclohex-3-en-1-yl]hex-5-enoic acid Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CC=CCC2C=CCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CC=CCC2/C=C/CCCC(=O)O

InChI

InChI=1S/C20H27NO4S/c1-16-11-13-19(14-12-16)26(24,25)21-15-18-9-6-5-8-17(18)7-3-2-4-10-20(22)23/h3,5-7,11-14,17-18,21H,2,4,8-10,15H2,1H3,(H,22,23)/b7-3+