3-chloranyl-N-(3-ethynylphenyl)-4-methyl-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-N-(3-ethynylphenyl)-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-(3-ethynylphenyl)-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-(3-ethynylphenyl)-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-(3-ethynylphenyl)-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-(3-ethynylphenyl)-4-methyl-5-nitro-benzenesulfonamide Formula: C15H11ClN2O4S MolecularWeight: 350.77684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O4S/c1-3-11-5-4-6-12(7-11)17-23(21,22)13-8-14(16)10(2)15(9-13)18(19)20/h1,4-9,17H,2H3