ethyl 3-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-2-methyl-benzoate CAS Name: 3-[[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate Traditional Name: 3-[4-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-2-methyl-benzoic acid ethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C)C

InChI

InChI=1S/C23H30N2O5S/c1-6-30-23(27)20-9-7-10-21(18(20)4)24-22(26)11-8-14-25(31(5,28)29)19-13-12-16(2)17(3)15-19/h7,9-10,12-13,15H,6,8,11,14H2,1-5H3,(H,24,26)