3-azanyl-2-nitro-N-(phenylmethyl)quinoline-4-sulfonamide

Systemtic Name: 3-azanyl-2-nitro-N-(phenylmethyl)quinoline-4-sulfonamide Openeye Name: 3-amino-N-benzyl-2-nitro-quinoline-4-sulfonamide CAS Name: 3-amino-2-nitro-N-(phenylmethyl)-4-quinolinesulfonamide IUPAC Name: 3-amino-N-benzyl-2-nitroquinoline-4-sulfonamide Traditional Name: 3-amino-N-benzyl-2-nitro-quinoline-4-sulfonamide Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C(=NC3=CC=CC=C32)[N+](=O)[O-])N

InChI

InChI=1S/C16H14N4O4S/c17-14-15(25(23,24)18-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-16(14)20(21)22/h1-9,18H,10,17H2