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

Systemtic Name: 4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid Openeye Name: 4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid CAS Name: 4-(1'-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]ylsulfonyl)benzoic acid IUPAC Name: 4-spiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-ylsulfonylbenzoic acid Traditional Name: 4-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=C(C=C5)C(=O)O

Isomeric SMILES

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

InChI

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