N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 4-besyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

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