2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=CC(=C2)Cl)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=CC(=C2)Cl)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28ClN3O4S/c1-16-7-9-18(14-21(16)31(28,29)26-11-5-3-4-6-12-26)24-15-22(27)25-19-13-17(23)8-10-20(19)30-2/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3,(H,25,27)