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

Systemtic Name: ethyl 4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]-3-methyl-benzoate CAS Name: 4-[[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]-3-methylbenzoate Traditional Name: 4-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]-3-methyl-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)Cl)C

Isomeric SMILES

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

InChI

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