2-[4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-chloranyl-4-methylsulfonyl-phenyl)carbonyl-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(2-chloro-4-methylsulfonyl-benzoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(2-chloro-4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(2-chloro-4-mesyl-benzoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H32ClN3O4S/c1-4-18-8-6-9-19(5-2)24(18)27-23(30)17-28-12-7-13-29(15-14-28)25(31)21-11-10-20(16-22(21)26)34(3,32)33/h6,8-11,16H,4-5,7,12-15,17H2,1-3H3,(H,27,30)