[4-[(E)-2-benzamido-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenyl] methanesulfonate

Systemtic Name: [4-[(E)-2-benzamido-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]phenyl] methanesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(isopropylamino)-3-oxo-prop-1-enyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(E)-2-benzamido-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-oxo-3-(propan-2-ylamino)prop-1-enyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(E)-2-benzamido-3-(isopropylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S/c1-14(2)21-20(24)18(22-19(23)16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)27-28(3,25)26/h4-14H,1-3H3,(H,21,24)(H,22,23)/b18-13+