4-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonyl-methyl-amino]butanoate

Systemtic Name: 4-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]sulfonyl-methyl-amino]butanoate Openeye Name: 4-[[2,4-dimethyl-3-[methyl(p-tolylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoate CAS Name: 4-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-methylamino]butanoate IUPAC Name: 4-[[2,4-dimethyl-3-[methyl-(4-methylphenyl)sulfonylamino]phenyl]sulfonyl-methylamino]butanoate Traditional Name: 4-[[2,4-dimethyl-3-[methyl(tosyl)amino]phenyl]sulfonyl-methyl-amino]butyrate Formula: C21H27N2O6S2- MolecularWeight: 467.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)N(C)CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=CC(=C2C)S(=O)(=O)N(C)CCCC(=O)[O-])C

InChI

InChI=1S/C21H28N2O6S2/c1-15-8-11-18(12-9-15)30(26,27)23(5)21-16(2)10-13-19(17(21)3)31(28,29)22(4)14-6-7-20(24)25/h8-13H,6-7,14H2,1-5H3,(H,24,25)/p-1