N-(3-ethynylphenyl)-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(3-ethynylphenyl)-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(3-ethynylphenyl)-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-(3-ethynylphenyl)-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(3-ethynylphenyl)-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(3-ethynylphenyl)-2-methyl-5-nitro-benzenesulfonamide Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C15H12N2O4S/c1-3-12-5-4-6-13(9-12)16-22(20,21)15-10-14(17(18)19)8-7-11(15)2/h1,4-10,16H,2H3