[4-[(E)-2-benzamido-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-benzamido-3-(diethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(diethylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(diethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(diethylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(diethylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5S/c1-4-29(5-2)27(31)25(28-26(30)22-9-7-6-8-10-22)19-21-13-15-23(16-14-21)34-35(32,33)24-17-11-20(3)12-18-24/h6-19H,4-5H2,1-3H3,(H,28,30)/b25-19+