N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-besyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CN=CC=C3)C(=O)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S2/c1-16-11-20-21(12-17(16)2)30-23(25-20)26(14-18-7-6-10-24-13-18)22(27)15-31(28,29)19-8-4-3-5-9-19/h3-13H,14-15H2,1-2H3