3-(azepan-1-ylsulfonyl)-N-[3-chloranyl-2-(dimethylamino)phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-chloranyl-2-(dimethylamino)phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxy-benzamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=C1Cl)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=C(C=CC=C1Cl)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28ClN3O4S/c1-25(2)21-17(23)9-8-10-18(21)24-22(27)16-11-12-19(30-3)20(15-16)31(28,29)26-13-6-4-5-7-14-26/h8-12,15H,4-7,13-14H2,1-3H3,(H,24,27)