ethyl 4-[2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-tert-butylphenyl)-methylsulfonyl-amino]ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 4-[[2-(4-tert-butyl-N-methylsulfonyl-anilino)acetyl]amino]-2-chloro-benzoate CAS Name: 4-[[2-(4-tert-butyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-tert-butyl-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate Traditional Name: 4-[[2-(4-tert-butyl-N-mesyl-anilino)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-6-30-21(27)18-12-9-16(13-19(18)23)24-20(26)14-25(31(5,28)29)17-10-7-15(8-11-17)22(2,3)4/h7-13H,6,14H2,1-5H3,(H,24,26)