ethyl 3-chloranyl-4-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: ethyl 3-chloro-4-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]benzoate CAS Name: 3-chloro-4-[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-chloro-4-[(2-methyl-5-morpholinosulfonyl-benzoyl)amino]benzoic acid ethyl ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-3-30-21(26)15-5-7-19(18(22)12-15)23-20(25)17-13-16(6-4-14(17)2)31(27,28)24-8-10-29-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,25)