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

Systemtic Name: [4-[(E)-2-benzamido-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C26H26N2O6S MolecularWeight: 494.55944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCCO)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCCO)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O6S/c1-19-8-14-23(15-9-19)35(32,33)34-22-12-10-20(11-13-22)18-24(26(31)27-16-5-17-29)28-25(30)21-6-3-2-4-7-21/h2-4,6-15,18,29H,5,16-17H2,1H3,(H,27,31)(H,28,30)/b24-18+