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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S3/c1-24-14-9-10-16-18(13-14)27-19(20-16)26-11-5-6-12-28(22,23)21-15-7-3-4-8-17(15)25-2/h3-4,7-10,13,21H,5-6,11-12H2,1-2H3