[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenyl] 4-(dimethylcarbamoyl)benzenesulfonate

Systemtic Name: [4-[2-(dimethylaminomethyl)prop-2-enoyl]phenyl] 4-(dimethylcarbamoyl)benzenesulfonate Openeye Name: [4-[2-(dimethylaminomethyl)prop-2-enoyl]phenyl] 4-(dimethylcarbamoyl)benzenesulfonate CAS Name: 4-[dimethylamino(oxo)methyl]benzenesulfonic acid [4-[2-(dimethylaminomethyl)-1-oxoprop-2-enyl]phenyl] ester IUPAC Name: [4-[2-(dimethylaminomethyl)prop-2-enoyl]phenyl] 4-(dimethylcarbamoyl)benzenesulfonate Traditional Name: 4-(dimethylcarbamoyl)benzenesulfonic acid [4-[2-(dimethylaminomethyl)acryloyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C

Isomeric SMILES

CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C

InChI

InChI=1S/C21H24N2O5S/c1-15(14-22(2)3)20(24)16-6-10-18(11-7-16)28-29(26,27)19-12-8-17(9-13-19)21(25)23(4)5/h6-13H,1,14H2,2-5H3