N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-benzylsulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-benzylsulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-32-21-11-5-12-22-24(21)27-25(33-22)28(17-20-10-6-14-26-16-20)23(29)13-7-15-34(30,31)18-19-8-3-2-4-9-19/h2-6,8-12,14,16H,7,13,15,17-18H2,1H3