3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-benzamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c22-16-10-9-15(13-19(16)30(27,28)25-11-5-1-2-6-12-25)21(26)23-14-20-24-17-7-3-4-8-18(17)29-20/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,26)