2-[4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C22H33ClN4O4S MolecularWeight: 485.03982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33ClN4O4S/c1-24(2)21(28)17-25-10-7-11-26(15-14-25)22(29)18-8-9-19(23)20(16-18)32(30,31)27-12-5-3-4-6-13-27/h8-9,16H,3-7,10-15,17H2,1-2H3