N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-benzylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-benzylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-benzylsulfonyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S2/c1-30-19-9-10-21-20(12-19)25-23(31-21)26(14-18-8-5-11-24-13-18)22(27)16-32(28,29)15-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3