N-(3-ethynylphenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3-ethynylphenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-ethynylphenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(3-ethynylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-ethynylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-ethynylphenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c1-4-13-6-5-7-14(9-13)17-23(21,22)16-10-15(18(19)20)8-11(2)12(16)3/h1,5-10,17H,2-3H3