5-(azepan-1-ylsulfonyl)-N-[4-(cyanomethyl)phenyl]-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[4-(cyanomethyl)phenyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[4-(cyanomethyl)phenyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[4-(cyanomethyl)phenyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[4-(cyanomethyl)phenyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[4-(cyanomethyl)phenyl]-2-methyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H25N3O3S/c1-17-6-11-20(29(27,28)25-14-4-2-3-5-15-25)16-21(17)22(26)24-19-9-7-18(8-10-19)12-13-23/h6-11,16H,2-5,12,14-15H2,1H3,(H,24,26)