ethyl 3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-2-methyl-benzoate CAS Name: 3-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate Traditional Name: 3-[4-(N-mesyl-2,5-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=C(C=CC(=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

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