5-(morpholin-4-ylsulfonylamino)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-(morpholin-4-ylsulfonylamino)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-(morpholinosulfonylamino)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid CAS Name: 5-(4-morpholinylsulfonylamino)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-(morpholin-4-ylsulfonylamino)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-5-(morpholinosulfonylamino)benzoic acid Formula: C21H31N5O6S MolecularWeight: 481.56574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)N4CCOCC4)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)NS(=O)(=O)N4CCOCC4)C(=O)O

InChI

InChI=1S/C21H31N5O6S/c27-20(25-5-1-2-6-25)16-23-7-9-24(10-8-23)19-4-3-17(15-18(19)21(28)29)22-33(30,31)26-11-13-32-14-12-26/h3-4,15,22H,1-2,5-14,16H2,(H,28,29)