4-chloranyl-N-[(2-ethynylphenyl)methyl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2-ethynylphenyl)methyl]-N-phenyl-benzenesulfonamide Openeye Name: 4-chloro-N-[(2-ethynylphenyl)methyl]-N-phenyl-benzenesulfonamide CAS Name: 4-chloro-N-[(2-ethynylphenyl)methyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-chloro-N-[(2-ethynylphenyl)methyl]-N-phenylbenzenesulfonamide Traditional Name: 4-chloro-N-(2-ethynylbenzyl)-N-phenyl-benzenesulfonamide Formula: C21H16ClNO2S MolecularWeight: 381.87524

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CC1=CC=CC=C1CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClNO2S/c1-2-17-8-6-7-9-18(17)16-23(20-10-4-3-5-11-20)26(24,25)21-14-12-19(22)13-15-21/h1,3-15H,16H2