2-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-piperidinosulfonyl-benzamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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