4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinosulfonyl-benzamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22ClN3O4S2/c1-2-29-15-7-9-17-18(13-15)30-21(23-17)24-20(26)14-6-8-16(22)19(12-14)31(27,28)25-10-4-3-5-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,24,26)