N-(cyanomethyl)-2-propylsulfonyl-benzamide

Systemtic Name: N-(cyanomethyl)-2-propylsulfonyl-benzamide Openeye Name: N-(cyanomethyl)-2-propylsulfonyl-benzamide CAS Name: N-(cyanomethyl)-2-propylsulfonylbenzamide IUPAC Name: N-(cyanomethyl)-2-propylsulfonylbenzamide Traditional Name: N-(cyanomethyl)-2-propylsulfonyl-benzamide Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC#N

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCC#N

InChI

InChI=1S/C12H14N2O3S/c1-2-9-18(16,17)11-6-4-3-5-10(11)12(15)14-8-7-13/h3-6H,2,8-9H2,1H3,(H,14,15)