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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CC=C(C=C1)CCNS(=O)(=O)CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CCC/C=C(\C1=CC=C(C=C1)CCNS(=O)(=O)CC2=CC=CC=C2)/C3=CN=CC=C3

InChI

InChI=1S/C27H30N2O4S/c1-33-27(30)12-6-5-11-26(25-10-7-18-28-20-25)24-15-13-22(14-16-24)17-19-29-34(31,32)21-23-8-3-2-4-9-23/h2-4,7-11,13-16,18,20,29H,5-6,12,17,19,21H2,1H3/b26-11+