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

Systemtic Name: methyl 3-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]-4-methyl-benzoate CAS Name: 3-[[[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)amino]-4-methylbenzoate Traditional Name: 3-[(4-chloro-3-morpholinosulfonyl-benzoyl)amino]-4-methyl-benzoic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21ClN2O6S/c1-13-3-4-15(20(25)28-2)11-17(13)22-19(24)14-5-6-16(21)18(12-14)30(26,27)23-7-9-29-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H,22,24)