2-[[4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23N3O8S2/c1-31-17-9-4-14(12-18(17)33(29,30)23-10-2-3-11-23)20(26)22-15-5-7-16(8-6-15)32(27,28)21-13-19(24)25/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,22,26)(H,24,25)