N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(4-isopropylsulfonylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(4-isopropylsulfonylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)acetamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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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(S3)C=CC(=C4)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N(CC2=CN=CC=C2)C3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C25H25N3O4S2/c1-17(2)34(30,31)21-9-6-18(7-10-21)13-24(29)28(16-19-5-4-12-26-15-19)25-27-22-14-20(32-3)8-11-23(22)33-25/h4-12,14-15,17H,13,16H2,1-3H3