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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SCCCCS(=O)(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SCCCCS(=O)(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H22N2O3S3/c1-14-8-9-18-17(12-14)20-19(26-18)25-10-3-4-11-27(22,23)21-15-6-5-7-16(13-15)24-2/h5-9,12-13,21H,3-4,10-11H2,1-2H3