N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-2-[(phenylmethyl)sulfonylmethyl]propanamide

Systemtic Name: N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-2-[(phenylmethyl)sulfonylmethyl]propanamide Openeye Name: 3-benzylsulfonyl-2-(benzylsulfonylmethyl)-N-(cyanomethyl)propanamide CAS Name: N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-2-[(phenylmethyl)sulfonylmethyl]propanamide IUPAC Name: 3-benzylsulfonyl-2-(benzylsulfonylmethyl)-N-(cyanomethyl)propanamide Traditional Name: 3-benzylsulfonyl-2-(benzylsulfonylmethyl)-N-(cyanomethyl)propionamide Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CS(=O)(=O)CC2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C20H22N2O5S2/c21-11-12-22-20(23)19(15-28(24,25)13-17-7-3-1-4-8-17)16-29(26,27)14-18-9-5-2-6-10-18/h1-10,19H,12-16H2,(H,22,23)