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

Systemtic Name: 2-azanyl-3-nitro-N-(phenylmethyl)quinoline-4-sulfonamide Openeye Name: 2-amino-N-benzyl-3-nitro-quinoline-4-sulfonamide CAS Name: 2-amino-3-nitro-N-(phenylmethyl)-4-quinolinesulfonamide IUPAC Name: 2-amino-N-benzyl-3-nitroquinoline-4-sulfonamide Traditional Name: 2-amino-N-benzyl-3-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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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