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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-benzamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c23-18-11-10-17(15-19(18)32(29,30)27-12-6-1-2-7-13-27)21(28)24-22-26-25-20(31-22)14-16-8-4-3-5-9-16/h3-5,8-11,15H,1-2,6-7,12-14H2,(H,24,26,28)