3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-tert-butylphenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-tert-butylphenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(4-tert-butylphenyl)propane-1-sulfonamide Formula: C20H24N2O2S3 MolecularWeight: 420.61176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S3/c1-20(2,3)15-9-11-16(12-10-15)22-27(23,24)14-6-13-25-19-21-17-7-4-5-8-18(17)26-19/h4-5,7-12,22H,6,13-14H2,1-3H3