methyl (E)-6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[4-[2-(p-tolylsulfonylamino)ethyl]phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-(3-pyridyl)-6-[4-[2-(tosylamino)ethyl]phenyl]hex-5-enoic acid methyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=CCCCC(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)/C(=C\CCCC(=O)OC)/C3=CN=CC=C3

InChI

InChI=1S/C27H30N2O4S/c1-21-9-15-25(16-10-21)34(31,32)29-19-17-22-11-13-23(14-12-22)26(24-6-5-18-28-20-24)7-3-4-8-27(30)33-2/h5-7,9-16,18,20,29H,3-4,8,17,19H2,1-2H3/b26-7+