methyl 4-chloranyl-3-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanoylamino]benzoate Openeye Name: methyl 3-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-4-chloro-benzoate CAS Name: 3-[[4-[(4-acetylphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]-4-chlorobenzoate Traditional Name: 3-[4-[(4-acetylphenyl)sulfonyl-methyl-amino]butanoylamino]-4-chloro-benzoic acid methyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O6S/c1-14(25)15-6-9-17(10-7-15)31(28,29)24(2)12-4-5-20(26)23-19-13-16(21(27)30-3)8-11-18(19)22/h6-11,13H,4-5,12H2,1-3H3,(H,23,26)