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

Systemtic Name: methyl (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (Z)-6-[4-(p-tolylsulfonylamino)phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (Z)-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (Z)-6-(3-pyridyl)-6-[4-(tosylamino)phenyl]hex-5-enoic acid methyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=CCCCC(=O)OC)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)/C(=C/CCCC(=O)OC)/C3=CN=CC=C3

InChI

InChI=1S/C25H26N2O4S/c1-19-9-15-23(16-10-19)32(29,30)27-22-13-11-20(12-14-22)24(21-6-5-17-26-18-21)7-3-4-8-25(28)31-2/h5-7,9-18,27H,3-4,8H2,1-2H3/b24-7-