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

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC

InChI

InChI=1S/C20H22N2O6S2/c1-26-13-6-8-14(9-7-13)30(24,25)10-4-5-19(23)22-20-21-15-11-16(27-2)17(28-3)12-18(15)29-20/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22,23)