methyl (2S)-4-cyano-4-(phenylsulfonyl)-2-[(triphenylmethyl)amino]butanoate

Systemtic Name: methyl (2S)-4-cyano-4-(phenylsulfonyl)-2-[(triphenylmethyl)amino]butanoate Openeye Name: methyl (2S)-4-(benzenesulfonyl)-4-cyano-2-(tritylamino)butanoate CAS Name: (2S)-4-(benzenesulfonyl)-4-cyano-2-[(triphenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-(benzenesulfonyl)-4-cyano-2-(tritylamino)butanoate Traditional Name: (2S)-4-besyl-4-cyano-2-(tritylamino)butyric acid methyl ester Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C#N)S(=O)(=O)C1=CC=CC=C1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC(C#N)S(=O)(=O)C1=CC=CC=C1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H28N2O4S/c1-37-30(34)29(22-28(23-32)38(35,36)27-20-12-5-13-21-27)33-31(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,28-29,33H,22H2,1H3/t28?,29-/m0/s1