ethyl 2-chloranyl-4-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-[methylsulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[2-(4-isopropyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-(4-isopropyl-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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

InChI

InChI=1S/C21H25ClN2O5S/c1-5-29-21(26)18-11-8-16(12-19(18)22)23-20(25)13-24(30(4,27)28)17-9-6-15(7-10-17)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,23,25)