1'-(4-nitrophenyl)sulfanyl-1-phenyl-spiro[1H-2-benzofuran-3,4'-piperidine]-5-ol

Systemtic Name: 1'-(4-nitrophenyl)sulfanyl-1-phenyl-spiro[1H-2-benzofuran-3,4'-piperidine]-5-ol Openeye Name: 1'-(4-nitrophenyl)sulfanyl-1-phenyl-spiro[1H-isobenzofuran-3,4'-piperidine]-5-ol CAS Name: 1'-[(4-nitrophenyl)thio]-1-phenyl-5-spiro[1H-isobenzofuran-3,4'-piperidine]ol IUPAC Name: 1'-(4-nitrophenyl)sulfanyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-5-ol Traditional Name: 1'-[(4-nitrophenyl)thio]-1-phenyl-spiro[phthalan-3,4'-piperidine]-5-ol Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=C(C=CC(=C3)O)C(O2)C4=CC=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12C3=C(C=CC(=C3)O)C(O2)C4=CC=CC=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O4S/c27-19-8-11-21-22(16-19)24(30-23(21)17-4-2-1-3-5-17)12-14-25(15-13-24)31-20-9-6-18(7-10-20)26(28)29/h1-11,16,23,27H,12-15H2