ethyl 2-cyano-2-(phenylmethyl)-4,4-bis(phenylsulfonyl)butanoate

Systemtic Name: ethyl 2-cyano-2-(phenylmethyl)-4,4-bis(phenylsulfonyl)butanoate Openeye Name: ethyl 4,4-bis(benzenesulfonyl)-2-benzyl-2-cyano-butanoate CAS Name: 4,4-bis(benzenesulfonyl)-2-cyano-2-(phenylmethyl)butanoic acid ethyl ester IUPAC Name: ethyl 4,4-bis(benzenesulfonyl)-2-benzyl-2-cyanobutanoate Traditional Name: 2-benzyl-4,4-dibesyl-2-cyano-butyric acid ethyl ester Formula: C26H25NO6S2 MolecularWeight: 511.6098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)(CC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)(CC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C26H25NO6S2/c1-2-33-25(28)26(20-27,18-21-12-6-3-7-13-21)19-24(34(29,30)22-14-8-4-9-15-22)35(31,32)23-16-10-5-11-17-23/h3-17,24H,2,18-19H2,1H3