N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CN=CC=C3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C25H25N3O3S2/c1-17(2)33(30,31)21-9-7-19(8-10-21)14-24(29)28(16-20-5-4-12-26-15-20)25-27-22-11-6-18(3)13-23(22)32-25/h4-13,15,17H,14,16H2,1-3H3