N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-benzylsulfonyl-N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C23H20ClN3O3S2 MolecularWeight: 486.0062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3O3S2/c24-19-8-9-20-21(13-19)31-23(26-20)27(15-18-7-4-11-25-14-18)22(28)10-12-32(29,30)16-17-5-2-1-3-6-17/h1-9,11,13-14H,10,12,15-16H2