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

Systemtic Name: ethyl 4-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-3-methyl-benzoate CAS Name: 4-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate Traditional Name: 4-[4-(N-mesyl-2,5-dimethyl-anilino)butanoylamino]-3-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=CC(=C(C=C1)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=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)19-11-12-20(18(4)15-19)24-22(26)8-7-13-25(31(5,28)29)21-14-16(2)9-10-17(21)3/h9-12,14-15H,6-8,13H2,1-5H3,(H,24,26)