methyl 3-[3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoylamino]benzoate

Systemtic Name: methyl 3-[3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoylamino]benzoate Openeye Name: methyl 3-[3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoylamino]benzoate CAS Name: 3-[[3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoylamino]benzoate Traditional Name: 3-[[3-(3-methoxy-4-tosyloxy-phenyl)acryloyl]amino]benzoic acid methyl ester Formula: C25H23NO7S MolecularWeight: 481.51762

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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=CC=CC(=C3)C(=O)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=CC=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C25H23NO7S/c1-17-7-11-21(12-8-17)34(29,30)33-22-13-9-18(15-23(22)31-2)10-14-24(27)26-20-6-4-5-19(16-20)25(28)32-3/h4-16H,1-3H3,(H,26,27)