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

Systemtic Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)butane-1-sulfonamide Openeye Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)butane-1-sulfonamide CAS Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(4-methoxyphenyl)-1-butanesulfonamide IUPAC Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)butane-1-sulfonamide Traditional Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(4-methoxyphenyl)butane-1-sulfonamide Formula: C19H22N2O4S3 MolecularWeight: 438.58398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)CCCCSC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)CCCCSC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C19H22N2O4S3/c1-24-15-7-5-14(6-8-15)21-28(22,23)12-4-3-11-26-19-20-17-10-9-16(25-2)13-18(17)27-19/h5-10,13,21H,3-4,11-12H2,1-2H3