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

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(1-naphthyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1,4-diazepan-1-yl]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[4-(5-bromothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)sulfonyl]-1,4-diazepan-1-yl]-N-(1-naphthyl)acetamide Formula: C21H22BrN3O3S2 MolecularWeight: 508.45168

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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=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(S2)Br)CC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H22BrN3O3S2/c22-19-9-10-21(29-19)30(27,28)25-12-4-11-24(13-14-25)15-20(26)23-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-10H,4,11-15H2,(H,23,26)