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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C=CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCC(CC)NC(=O)/C=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C22H27NO5S/c1-5-18(6-2)23-22(24)14-10-17-9-13-20(21(15-17)27-4)28-29(25,26)19-11-7-16(3)8-12-19/h7-15,18H,5-6H2,1-4H3,(H,23,24)/b14-10+