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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-methylsulfonylphenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-methylsulfonylphenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(4-methylsulfonylphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(4-mesylphenyl)acetamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-30(26,27)19-11-9-17(10-12-19)23-21(25)16-22-18-7-6-8-20(15-18)31(28,29)24-13-4-2-3-5-14-24/h6-12,15,22H,2-5,13-14,16H2,1H3,(H,23,25)