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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-5-18(23(29(4,26)27)15-9-6-13(2)7-10-15)19(24)22-17-12-14(20(25)28-3)8-11-16(17)21/h6-12,18H,5H2,1-4H3,(H,22,24)