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

Systemtic Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-methyl-4-oxidanyl-phenyl]butane-1-sulfonamide Openeye Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methyl-phenyl]butane-1-sulfonamide CAS Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methylphenyl]-1-butanesulfonamide IUPAC Name: N-[5-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-2-methylphenyl]butane-1-sulfonamide Traditional Name: N-[5-(1,3-benzothiazol-2-ylthio)-4-hydroxy-2-methyl-phenyl]butane-1-sulfonamide Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1C)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1C)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H20N2O3S3/c1-3-4-9-26(22,23)20-14-11-17(15(21)10-12(14)2)25-18-19-13-7-5-6-8-16(13)24-18/h5-8,10-11,20-21H,3-4,9H2,1-2H3