4-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(cyclopropylamino)-2-keto-ethyl]-N-methyl-benzamide Formula: C19H27N3O4S MolecularWeight: 393.50038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N3O4S/c1-21(14-18(23)20-16-8-9-16)19(24)15-6-10-17(11-7-15)27(25,26)22-12-4-2-3-5-13-22/h6-7,10-11,16H,2-5,8-9,12-14H2,1H3,(H,20,23)