4-[[4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoyl]amino]-3-methyl-benzoic acid Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)Cl

InChI

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