3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propane-1-sulfonamide

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propane-1-sulfonamide Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propane-1-sulfonamide CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(4-methoxyphenyl)-1-propanesulfonamide IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propane-1-sulfonamide Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(4-methoxyphenyl)propane-1-sulfonamide Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)CCCSC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)CCCSC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C18H20N2O4S3/c1-23-14-6-4-13(5-7-14)20-27(21,22)11-3-10-25-18-19-16-9-8-15(24-2)12-17(16)26-18/h4-9,12,20H,3,10-11H2,1-2H3