N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H22N2O5S2/c1-26-16-11-15-18(12-17(16)27-2)28-20(21-15)22-19(23)9-6-10-29(24,25)13-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,21,22,23)