N-[2-(4-nitrophenyl)ethynyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide

Systemtic Name: N-[2-(4-nitrophenyl)ethynyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide Openeye Name: N-[2-(4-nitrophenyl)ethynyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide CAS Name: N-[2-(4-nitrophenyl)ethynyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide IUPAC Name: N-[2-(4-nitrophenyl)ethynyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide Traditional Name: N-[2-(4-nitrophenyl)ethynyl]-N-[(1S)-1-phenylethyl]benzenesulfonamide Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C#CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(C#CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-18(20-8-4-2-5-9-20)23(29(27,28)22-10-6-3-7-11-22)17-16-19-12-14-21(15-13-19)24(25)26/h2-15,18H,1H3/t18-/m0/s1