2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(4-bromanyl-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[4-(4-bromo-2-ethylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[4-(4-bromo-2-ethyl-phenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-chlorophenyl)acetamide Formula: C21H25BrClN3O3S MolecularWeight: 514.8635

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25BrClN3O3S/c1-2-16-14-17(22)8-9-20(16)30(28,29)26-11-5-10-25(12-13-26)15-21(27)24-19-7-4-3-6-18(19)23/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H,24,27)