2-[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]oxy-5-morpholin-4-ylsulfonyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)Cl)OC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)O

InChI

InChI=1S/C21H23ClN2O7S/c1-14(20(25)23-13-15-2-4-16(22)5-3-15)31-19-7-6-17(12-18(19)21(26)27)32(28,29)24-8-10-30-11-9-24/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)(H,26,27)