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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)SCCCS(=O)(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C18H20N2O4S3/c1-23-13-8-9-15-17(12-13)26-18(19-15)25-10-5-11-27(21,22)20-14-6-3-4-7-16(14)24-2/h3-4,6-9,12,20H,5,10-11H2,1-2H3