N-[(4-methoxyphenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Openeye Name: N-[(4-methoxyphenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide CAS Name: N-[(4-methoxyphenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N'-(6-mesyl-1,3-benzothiazol-2-yl)-N-p-anisyl-succinamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O5S2/c1-28-14-5-3-13(4-6-14)12-21-18(24)9-10-19(25)23-20-22-16-8-7-15(30(2,26)27)11-17(16)29-20/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,23,25)