N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-besyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)acetamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)CS(=O)(=O)C4=CC=CC=C4

InChI

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