4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid

Systemtic Name: 4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoic acid CAS Name: 3-(benzenesulfonamido)-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]benzoic acid Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O5S/c28-22(27-10-4-5-11-27)17-25-12-14-26(15-13-25)21-9-8-18(23(29)30)16-20(21)24-33(31,32)19-6-2-1-3-7-19/h1-3,6-9,16,24H,4-5,10-15,17H2,(H,29,30)