N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C19H20N2O5S2/c1-25-15-10-14-17(11-16(15)26-2)27-19(20-14)21-18(22)8-9-28(23,24)12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21,22)