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

Systemtic Name: methyl 3-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 3-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]benzoic acid methyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-14-9-10-16(21)13-18(14)23(29(3,26)27)11-5-8-19(24)22-17-7-4-6-15(12-17)20(25)28-2/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,22,24)