N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-besyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S2/c1-2-32-21-13-8-14-22-24(21)27-25(33-22)28(18-19-10-6-7-16-26-19)23(29)15-9-17-34(30,31)20-11-4-3-5-12-20/h3-8,10-14,16H,2,9,15,17-18H2,1H3