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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]butane-1-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]butane-1-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-1-butanesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]butane-1-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]butane-1-sulfonamide Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1)O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N2O3S3/c1-2-3-10-25(21,22)19-12-8-9-14(20)16(11-12)24-17-18-13-6-4-5-7-15(13)23-17/h4-9,11,19-20H,2-3,10H2,1H3