3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-cyanoethyl)-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-cyanoethyl)-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanoethyl)-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-cyanoethyl)-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanoethyl)-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-cyanoethyl)-N-methyl-benzamide Formula: C17H22ClN3O3S MolecularWeight: 383.89288

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CN(CCC#N)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H22ClN3O3S/c1-20(10-6-9-19)17(22)14-7-8-15(18)16(13-14)25(23,24)21-11-4-2-3-5-12-21/h7-8,13H,2-6,10-12H2,1H3