2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(2,6-dimethylphenyl)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H29N3O3S/c1-17-9-7-10-18(2)22(17)24-21(26)16-23-19-11-8-12-20(15-19)29(27,28)25-13-5-3-4-6-14-25/h7-12,15,23H,3-6,13-14,16H2,1-2H3,(H,24,26)