ethyl 3-chloranyl-4-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(4-isopropyl-N-tosyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C27H29ClN2O5S MolecularWeight: 529.04756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(C)C)S(=O)(=O)C3=CC=C(C=C3)C)Cl

InChI

InChI=1S/C27H29ClN2O5S/c1-5-35-27(32)21-10-15-25(24(28)16-21)29-26(31)17-30(22-11-8-20(9-12-22)18(2)3)36(33,34)23-13-6-19(4)7-14-23/h6-16,18H,5,17H2,1-4H3,(H,29,31)