3-(azepan-1-ylsulfonyl)-N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chloroanilino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26ClN3O4S/c1-25(16-21(27)24-20-12-5-4-11-19(20)23)22(28)17-9-8-10-18(15-17)31(29,30)26-13-6-2-3-7-14-26/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3,(H,24,27)