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

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propane-1-sulfonamide Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(m-tolyl)propane-1-sulfonamide CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(3-methylphenyl)-1-propanesulfonamide IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-methylphenyl)propane-1-sulfonamide Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)thio]-N-(m-tolyl)propane-1-sulfonamide Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)CCCSC2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)CCCSC2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C18H20N2O3S3/c1-13-5-3-6-14(11-13)20-26(21,22)10-4-9-24-18-19-16-8-7-15(23-2)12-17(16)25-18/h3,5-8,11-12,20H,4,9-10H2,1-2H3