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

Systemtic Name: methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]-3-methyl-benzoate CAS Name: 4-[[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-3-methylbenzoate Traditional Name: 4-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OC)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)OC)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H26N2O6S/c1-4-16-5-6-17(14-20(16)31(27,28)24-9-11-30-12-10-24)21(25)23-19-8-7-18(13-15(19)2)22(26)29-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,25)