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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-dimethylphenyl)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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