4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-ynyl-amino]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[prop-2-ynyl(p-tolylsulfonyl)amino]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[propargyl(tosyl)amino]phenyl]benzenesulfonamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N(CC#C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N(CC#C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H22N2O4S2/c1-4-17-25(31(28,29)21-15-11-19(3)12-16-21)23-8-6-5-7-22(23)24-30(26,27)20-13-9-18(2)10-14-20/h1,5-16,24H,17H2,2-3H3