N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-2-26-16-10-6-11-17-19(16)22-20(27-17)21-18(23)12-7-13-28(24,25)14-15-8-4-3-5-9-15/h3-6,8-11H,2,7,12-14H2,1H3,(H,21,22,23)