ethyl 3-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]-2-methyl-benzoate CAS Name: 3-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]-2-methylbenzoate Traditional Name: 3-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]-2-methyl-benzoic acid ethyl ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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)Cl)C)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-5-30-22(27)18-8-6-9-19(16(18)3)24-21(26)10-7-13-25(31(4,28)29)20-14-17(23)12-11-15(20)2/h6,8-9,11-12,14H,5,7,10,13H2,1-4H3,(H,24,26)