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

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanyl-phenyl]-4-bromanyl-naphthalene-1-sulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxy-phenyl]-4-bromo-naphthalene-1-sulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxyphenyl]-4-bromo-1-naphthalenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]-4-bromonaphthalene-1-sulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-4-hydroxy-phenyl]-4-bromo-naphthalene-1-sulfonamide Formula: C23H15BrN2O3S3 MolecularWeight: 543.4758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NC3=CC(=C(C=C3)O)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Br)S(=O)(=O)NC3=CC(=C(C=C3)O)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H15BrN2O3S3/c24-17-10-12-22(16-6-2-1-5-15(16)17)32(28,29)26-14-9-11-19(27)21(13-14)31-23-25-18-7-3-4-8-20(18)30-23/h1-13,26-27H