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

Systemtic Name: (E)-2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]hept-5-enoic acid Openeye Name: (E)-2-cyclohexyl-2-[[(E)-2-(m-tolyl)vinyl]sulfonylamino]hept-5-enoic acid CAS Name: (E)-2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]-5-heptenoic acid IUPAC Name: (E)-2-cyclohexyl-2-[[(E)-2-(3-methylphenyl)ethenyl]sulfonylamino]hept-5-enoic acid Traditional Name: (E)-2-cyclohexyl-2-[[(E)-2-(m-tolyl)vinyl]sulfonylamino]hept-5-enoic acid Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCC(C1CCCCC1)(C(=O)O)NS(=O)(=O)C=CC2=CC(=CC=C2)C

Isomeric SMILES

C/C=C/CCC(C1CCCCC1)(C(=O)O)NS(=O)(=O)/C=C/C2=CC(=CC=C2)C

InChI

InChI=1S/C22H31NO4S/c1-3-4-8-15-22(21(24)25,20-12-6-5-7-13-20)23-28(26,27)16-14-19-11-9-10-18(2)17-19/h3-4,9-11,14,16-17,20,23H,5-8,12-13,15H2,1-2H3,(H,24,25)/b4-3+,16-14+