methyl 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoate

Systemtic Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoate Openeye Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-(3-pyridyl)allyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-(3-pyridinyl)prop-2-enyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(4-chlorophenyl)sulfonylamino]-4-[(E)-3-pyridin-3-ylprop-2-enyl]octanoate Traditional Name: (E)-4-[4-[(4-chlorophenyl)sulfonylamino]butyl]-7-(3-pyridyl)hept-6-enoic acid methyl ester Formula: C23H29ClN2O4S MolecularWeight: 465.00536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)CC=CC2=CN=CC=C2

Isomeric SMILES

COC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl)C/C=C/C2=CN=CC=C2

InChI

InChI=1S/C23H29ClN2O4S/c1-30-23(27)15-10-19(7-4-8-20-9-5-16-25-18-20)6-2-3-17-26-31(28,29)22-13-11-21(24)12-14-22/h4-5,8-9,11-14,16,18-19,26H,2-3,6-7,10,15,17H2,1H3/b8-4+