N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-isopropylsulfonylphenyl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-isopropylsulfonylphenyl)-N-(3-pyridylmethyl)acetamide Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC(=C4S3)OC)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC(=C4S3)OC)OC

InChI

InChI=1S/C26H27N3O5S2/c1-17(2)36(31,32)20-9-7-18(8-10-20)14-23(30)29(16-19-6-5-13-27-15-19)26-28-24-21(33-3)11-12-22(34-4)25(24)35-26/h5-13,15,17H,14,16H2,1-4H3