2-cyanoethyl 4-acetamidobenzenesulfonate

Systemtic Name: 2-cyanoethyl 4-acetamidobenzenesulfonate Openeye Name: 2-cyanoethyl 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid 2-cyanoethyl ester Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OCCC#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OCCC#N

InChI

InChI=1S/C11H12N2O4S/c1-9(14)13-10-3-5-11(6-4-10)18(15,16)17-8-2-7-12/h3-6H,2,8H2,1H3,(H,13,14)