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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(phenylsulfonyl)-N-(pyridin-4-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide Traditional Name: 4-besyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(4-pyridylmethyl)butyramide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=NC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=NC=C3)C(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S2/c1-2-20-8-6-11-22-24(20)27-25(32-22)28(18-19-13-15-26-16-14-19)23(29)12-7-17-33(30,31)21-9-4-3-5-10-21/h3-6,8-11,13-16H,2,7,12,17-18H2,1H3