2-[[4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-methyl-3-morpholinosulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23N3O8S2/c1-14-2-3-15(12-18(14)33(29,30)23-8-10-31-11-9-23)20(26)22-16-4-6-17(7-5-16)32(27,28)21-13-19(24)25/h2-7,12,21H,8-11,13H2,1H3,(H,22,26)(H,24,25)