2-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C20H23N3O7S2/c1-14-4-7-17(32(29,30)23-10-2-3-11-23)12-18(14)20(26)22-15-5-8-16(9-6-15)31(27,28)21-13-19(24)25/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,22,26)(H,24,25)