ethyl 3-[[4-[1-cyclopropylethyl(phenyl)amino]-4-oxidanylidene-butanoyl]-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[4-[1-cyclopropylethyl(phenyl)amino]-4-oxidanylidene-butanoyl]-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[4-[N-(1-cyclopropylethyl)anilino]-4-oxo-butanoyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[4-[N-(1-cyclopropylethyl)anilino]-1,4-dioxobutyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[N-(1-cyclopropylethyl)anilino]-4-oxobutanoyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[4-[N-(1-cyclopropylethyl)anilino]-4-keto-butanoyl]-mesyl-amino]benzoic acid ethyl ester Formula: C25H30N2O6S MolecularWeight: 486.5805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCC(=O)N(C2=CC=CC=C2)C(C)C3CC3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCC(=O)N(C2=CC=CC=C2)C(C)C3CC3)S(=O)(=O)C

InChI

InChI=1S/C25H30N2O6S/c1-4-33-25(30)20-9-8-12-22(17-20)27(34(3,31)32)24(29)16-15-23(28)26(18(2)19-13-14-19)21-10-6-5-7-11-21/h5-12,17-19H,4,13-16H2,1-3H3