[4-[3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H23NO8S MolecularWeight: 509.52772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)OC

InChI

InChI=1S/C26H23NO8S/c1-16-4-8-19(9-5-16)36(30,31)35-22-10-6-18(12-23(22)32-3)7-11-26(29)27-21-14-25-24(33-15-34-25)13-20(21)17(2)28/h4-14H,15H2,1-3H3,(H,27,29)