N-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-4-oxidanyl-phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-4-oxidanyl-phenyl]thiophene-2-sulfonamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methyl-phenyl]thiophene-2-sulfonamide CAS Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methylphenyl]-2-thiophenesulfonamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methylphenyl]thiophene-2-sulfonamide Traditional Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methyl-phenyl]thiophene-2-sulfonamide Formula: C18H14N2O3S4 MolecularWeight: 434.57536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CS2)SC3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=CS2)SC3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C18H14N2O3S4/c1-11-9-14(21)16(26-18-19-12-5-2-3-6-15(12)25-18)10-13(11)20-27(22,23)17-7-4-8-24-17/h2-10,20-21H,1H3