N-[6-[ethynyl-(4-methylphenyl)sulfonyl-amino]hex-3-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[6-[ethynyl-(4-methylphenyl)sulfonyl-amino]hex-3-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[6-[ethynyl(p-tolylsulfonyl)amino]hex-3-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[6-[ethynyl-(4-methylphenyl)sulfonylamino]hex-3-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[6-[ethynyl-(4-methylphenyl)sulfonylamino]hex-3-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[6-[ethynyl(tosyl)amino]hex-3-ynyl]-4-methyl-benzenesulfonamide Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC#CCCN(C#C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC#CCCN(C#C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H24N2O4S2/c1-4-24(30(27,28)22-15-11-20(3)12-16-22)18-8-6-5-7-17-23-29(25,26)21-13-9-19(2)10-14-21/h1,9-16,23H,7-8,17-18H2,2-3H3