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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-bromanyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-bromo-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-bromobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-4-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=C(C=C3)Br

Isomeric SMILES

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

InChI

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