2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(3,5-dimethoxyphenyl)acetamide Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H29N3O5S/c1-29-19-13-18(14-20(15-19)30-2)24-22(26)16-23-17-7-9-21(10-8-17)31(27,28)25-11-5-3-4-6-12-25/h7-10,13-15,23H,3-6,11-12,16H2,1-2H3,(H,24,26)