4-[(4-dimethylaminophenyl)amino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-dimethylaminophenyl)amino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(dimethylamino)anilino]-4-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: 4-[4-(dimethylamino)anilino]-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[4-(dimethylamino)anilino]-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-[4-(dimethylamino)anilino]-4-keto-2-[(1-tosylprolyl)amino]butyric acid Formula: C24H30N4O6S MolecularWeight: 502.5832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NC3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC(=O)NC3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C24H30N4O6S/c1-16-6-12-19(13-7-16)35(33,34)28-14-4-5-21(28)23(30)26-20(24(31)32)15-22(29)25-17-8-10-18(11-9-17)27(2)3/h6-13,20-21H,4-5,14-15H2,1-3H3,(H,25,29)(H,26,30)(H,31,32)