N-[2-(2-azanylethylamino)-1-(4-methylphenyl)sulfonyl-ethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(2-azanylethylamino)-1-(4-methylphenyl)sulfonyl-ethyl]-4-methyl-N-(4-methylphenyl)sulfonyl-benzenesulfonamide Openeye Name: N-[2-(2-aminoethylamino)-1-(p-tolylsulfonyl)ethyl]-4-methyl-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: N-[2-(2-aminoethylamino)-1-(4-methylphenyl)sulfonylethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide IUPAC Name: N-[2-(2-aminoethylamino)-1-(4-methylphenyl)sulfonylethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide Traditional Name: N-[2-(2-aminoethylamino)-1-tosyl-ethyl]-4-methyl-N-tosyl-benzenesulfonamide Formula: C25H31N3O6S3 MolecularWeight: 565.72514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNCCN)N(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNCCN)N(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H31N3O6S3/c1-19-4-10-22(11-5-19)35(29,30)25(18-27-17-16-26)28(36(31,32)23-12-6-20(2)7-13-23)37(33,34)24-14-8-21(3)9-15-24/h4-15,25,27H,16-18,26H2,1-3H3