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

Systemtic Name: N-(4-methoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-besyl-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S2/c1-31-20-12-7-13-21-23(20)26-24(32-21)27(17-18-9-5-6-15-25-18)22(28)14-8-16-33(29,30)19-10-3-2-4-11-19/h2-7,9-13,15H,8,14,16-17H2,1H3