3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid

Systemtic Name: 3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid Openeye Name: 3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid CAS Name: 3-(1'-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]ylsulfonyl)benzoic acid IUPAC Name: 3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid Traditional Name: 3-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=CC=CN3C4=CC=CC=C4N2)S(=O)(=O)C5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CN(CCC12C3=CC=CN3C4=CC=CC=C4N2)S(=O)(=O)C5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C22H21N3O4S/c26-21(27)16-5-3-6-17(15-16)30(28,29)24-13-10-22(11-14-24)20-9-4-12-25(20)19-8-2-1-7-18(19)23-22/h1-9,12,15,23H,10-11,13-14H2,(H,26,27)