N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-(3-ethynylphenyl)-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-(3-ethynylphenyl)-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-(3-ethynylphenyl)-4-methoxy-3-nitro-benzenesulfonamide Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c1-3-11-5-4-6-12(9-11)16-23(20,21)13-7-8-15(22-2)14(10-13)17(18)19/h1,4-10,16H,2H3