ethyl 2-cyano-4,4-bis(phenylsulfonyl)but-2-enoate

Systemtic Name: ethyl 2-cyano-4,4-bis(phenylsulfonyl)but-2-enoate Openeye Name: ethyl 4,4-bis(benzenesulfonyl)-2-cyano-but-2-enoate CAS Name: 4,4-bis(benzenesulfonyl)-2-cyano-2-butenoic acid ethyl ester IUPAC Name: ethyl 4,4-bis(benzenesulfonyl)-2-cyanobut-2-enoate Traditional Name: 4,4-dibesyl-2-cyano-but-2-enoic acid ethyl ester Formula: C19H17NO6S2 MolecularWeight: 419.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(=CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C19H17NO6S2/c1-2-26-19(21)15(14-20)13-18(27(22,23)16-9-5-3-6-10-16)28(24,25)17-11-7-4-8-12-17/h3-13,18H,2H2,1H3