2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(4-chlorophenyl)ethanamide

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(4-chlorophenyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(4-chlorophenyl)acetamide Formula: C17H19BrClN3O3S2 MolecularWeight: 492.83806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19BrClN3O3S2/c18-15-6-7-17(26-15)27(24,25)22-9-1-8-21(10-11-22)12-16(23)20-14-4-2-13(19)3-5-14/h2-7H,1,8-12H2,(H,20,23)