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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C15H18N4O3S2 MolecularWeight: 366.45842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S2/c20-13(12-8-4-3-5-9-12)16-14-17-18-15(23-14)24(21,22)19-10-6-1-2-7-11-19/h3-5,8-9H,1-2,6-7,10-11H2,(H,16,17,20)