N-(2-methoxyphenyl)-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]butane-1-sulfonamide

Systemtic Name: N-(2-methoxyphenyl)-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]butane-1-sulfonamide Openeye Name: N-(2-methoxyphenyl)-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]butane-1-sulfonamide CAS Name: N-(2-methoxyphenyl)-4-[(5-methyl-1,3-benzothiazol-2-yl)thio]-1-butanesulfonamide IUPAC Name: N-(2-methoxyphenyl)-4-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]butane-1-sulfonamide Traditional Name: N-(2-methoxyphenyl)-4-[(5-methyl-1,3-benzothiazol-2-yl)thio]butane-1-sulfonamide Formula: C19H22N2O3S3 MolecularWeight: 422.58458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SCCCCS(=O)(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SCCCCS(=O)(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C19H22N2O3S3/c1-14-9-10-18-16(13-14)20-19(26-18)25-11-5-6-12-27(22,23)21-15-7-3-4-8-17(15)24-2/h3-4,7-10,13,21H,5-6,11-12H2,1-2H3