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

Systemtic Name: 4-[[2,4-dimethyl-3-[methyl(phenylsulfonyl)amino]phenyl]sulfonyl-methyl-amino]butanoate Openeye Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonyl-methyl-amino]butanoate CAS Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonyl-methylamino]butanoate IUPAC Name: 4-[[3-[benzenesulfonyl(methyl)amino]-2,4-dimethylphenyl]sulfonyl-methylamino]butanoate Traditional Name: 4-[[3-[besyl(methyl)amino]-2,4-dimethyl-phenyl]sulfonyl-methyl-amino]butyrate Formula: C20H25N2O6S2- MolecularWeight: 453.5523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S2/c1-15-12-13-18(30(27,28)21(3)14-8-11-19(23)24)16(2)20(15)22(4)29(25,26)17-9-6-5-7-10-17/h5-7,9-10,12-13H,8,11,14H2,1-4H3,(H,23,24)/p-1