2-(prop-2-enoylamino)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(prop-2-enoylamino)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(prop-2-enoylamino)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-oxoprop-2-enylamino)ethyl ester IUPAC Name: 2-(prop-2-enoylamino)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-acrylamidoethyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCNC(=O)C=C

InChI

InChI=1S/C12H15NO4S/c1-3-12(14)13-8-9-17-18(15,16)11-6-4-10(2)5-7-11/h3-7H,1,8-9H2,2H3,(H,13,14)