N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-bromanyl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-bromanyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-bromo-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-bromobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-bromobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-bromo-benzamide Formula: C15H17BrN4O3S2 MolecularWeight: 445.35448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C15H17BrN4O3S2/c16-12-7-5-6-11(10-12)13(21)17-14-18-19-15(24-14)25(22,23)20-8-3-1-2-4-9-20/h5-7,10H,1-4,8-9H2,(H,17,18,21)