N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-4-ylmethyl)benzamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(4-pyridylmethyl)benzamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 2-mesyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)benzamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=NC=C3)C(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CC=NC=C3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H19N3O4S2/c1-29-16-7-8-19-18(13-16)24-22(30-19)25(14-15-9-11-23-12-10-15)21(26)17-5-3-4-6-20(17)31(2,27)28/h3-13H,14H2,1-2H3