[2-methoxy-4-[(E)-3-(3-methylbutan-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-(3-methylbutan-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(1,2-dimethylpropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-(3-methylbutan-2-ylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(3-methylbutan-2-ylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(1,2-dimethylpropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC(C)C(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC(C)C(C)C)OC

InChI

InChI=1S/C22H27NO5S/c1-15(2)17(4)23-22(24)13-9-18-8-12-20(21(14-18)27-5)28-29(25,26)19-10-6-16(3)7-11-19/h6-15,17H,1-5H3,(H,23,24)/b13-9+