N-(cyanomethyl)-N-(4-nitrophenyl)sulfanyl-naphthalene-2-sulfonamide

Systemtic Name: N-(cyanomethyl)-N-(4-nitrophenyl)sulfanyl-naphthalene-2-sulfonamide Openeye Name: N-(cyanomethyl)-N-(4-nitrophenyl)sulfanyl-naphthalene-2-sulfonamide CAS Name: N-(cyanomethyl)-N-[(4-nitrophenyl)thio]-2-naphthalenesulfonamide IUPAC Name: N-(cyanomethyl)-N-(4-nitrophenyl)sulfanylnaphthalene-2-sulfonamide Traditional Name: N-(cyanomethyl)-N-[(4-nitrophenyl)thio]naphthalene-2-sulfonamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CC#N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CC#N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S2/c19-11-12-20(26-17-8-6-16(7-9-17)21(22)23)27(24,25)18-10-5-14-3-1-2-4-15(14)13-18/h1-10,13H,12H2