N-[4-[2-cyanoethyl-(4-methylphenyl)sulfonyl-amino]butyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[2-cyanoethyl-(4-methylphenyl)sulfonyl-amino]butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[2-cyanoethyl(p-tolylsulfonyl)amino]butyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[2-cyanoethyl-(4-methylphenyl)sulfonylamino]butyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[2-cyanoethyl-(4-methylphenyl)sulfonylamino]butyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[2-cyanoethyl(tosyl)amino]butyl]-4-methyl-benzenesulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCCCN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCCCN(CCC#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27N3O4S2/c1-18-6-10-20(11-7-18)29(25,26)23-15-3-4-16-24(17-5-14-22)30(27,28)21-12-8-19(2)9-13-21/h6-13,23H,3-5,15-17H2,1-2H3