2-[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(5-chloro-2-methyl-anilino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C21H23ClN2O7S/c1-13-3-4-15(22)11-18(13)23-20(25)14(2)31-19-6-5-16(12-17(19)21(26)27)32(28,29)24-7-9-30-10-8-24/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,25)(H,26,27)