methyl (E)-7-(cyclopenten-1-yl)-2-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]hept-5-enoate

Systemtic Name: methyl (E)-7-(cyclopenten-1-yl)-2-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]hept-5-enoate Openeye Name: methyl (E)-7-(cyclopenten-1-yl)-2-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]hept-5-enoate CAS Name: (E)-7-(1-cyclopentenyl)-2-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-(cyclopenten-1-yl)-2-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]hept-5-enoate Traditional Name: (E)-7-(cyclopenten-1-yl)-2-[[(3,4-dimethoxyphenyl)sulfonylamino]methyl]hept-5-enoic acid methyl ester Formula: C22H31NO6S MolecularWeight: 437.54964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC(CCC=CCC2=CCCC2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC(CC/C=C/CC2=CCCC2)C(=O)OC)OC

InChI

InChI=1S/C22H31NO6S/c1-27-20-14-13-19(15-21(20)28-2)30(25,26)23-16-18(22(24)29-3)12-6-4-5-9-17-10-7-8-11-17/h4-5,10,13-15,18,23H,6-9,11-12,16H2,1-3H3/b5-4+