3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butyl-2-methyl-phenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butyl-2-methyl-phenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butyl-2-methyl-phenyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-butyl-2-methylphenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butyl-2-methylphenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-butyl-2-methyl-phenyl)propane-1-sulfonamide Formula: C21H26N2O2S3 MolecularWeight: 434.63834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H26N2O2S3/c1-3-4-8-17-11-12-18(16(2)15-17)23-28(24,25)14-7-13-26-21-22-19-9-5-6-10-20(19)27-21/h5-6,9-12,15,23H,3-4,7-8,13-14H2,1-2H3