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

Systemtic Name: 2-[(3-bromophenyl)methyl]-N-(cyanomethyl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 2-(benzylsulfonylmethyl)-3-(3-bromophenyl)-N-(cyanomethyl)propanamide CAS Name: 2-[(3-bromophenyl)methyl]-N-(cyanomethyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 2-(benzylsulfonylmethyl)-3-(3-bromophenyl)-N-(cyanomethyl)propanamide Traditional Name: 2-(benzylsulfonylmethyl)-3-(3-bromophenyl)-N-(cyanomethyl)propionamide Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3S/c20-18-8-4-7-16(12-18)11-17(19(23)22-10-9-21)14-26(24,25)13-15-5-2-1-3-6-15/h1-8,12,17H,10-11,13-14H2,(H,22,23)