[4-[2-acetamido-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[2-acetamido-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-acetamido-3-(2-naphthylamino)-3-oxo-prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-acetamido-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-acetamido-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-acetamido-3-keto-3-(2-naphthylamino)prop-1-enyl]phenyl] ester Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC4=CC=CC=C4C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NC3=CC4=CC=CC=C4C=C3)NC(=O)C

InChI

InChI=1S/C28H24N2O5S/c1-19-7-15-26(16-8-19)36(33,34)35-25-13-9-21(10-14-25)17-27(29-20(2)31)28(32)30-24-12-11-22-5-3-4-6-23(22)18-24/h3-18H,1-2H3,(H,29,31)(H,30,32)