3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chloranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-chloro-benzamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H24ClN3O3S2/c23-17-10-9-16(15-20(17)31(28,29)26-13-5-1-2-6-14-26)22(27)24-12-11-21-25-18-7-3-4-8-19(18)30-21/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,24,27)