2-[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-[1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-[2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethoxy]-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]oxy-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]oxy-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethoxy]-5-morpholinosulfonyl-benzoic acid Formula: C21H23ClN2O7S MolecularWeight: 482.93452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

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