N-[4-[[4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-chloro-4-methylsulfonyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-chloro-4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2-chloro-4-mesyl-benzoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-16(27)24-18-6-4-17(5-7-18)15-25-10-3-11-26(13-12-25)22(28)20-9-8-19(14-21(20)23)31(2,29)30/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)