2-[(4-cyanophenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=CC=C4SCC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)C4=CC=CC=C4SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H22N2O3S/c27-16-18-7-9-19(10-8-18)17-32-24-6-2-1-5-21(24)25(29)28-20-11-12-22-23(15-20)31-26(30-22)13-3-4-14-26/h1-2,5-12,15H,3-4,13-14,17H2,(H,28,29)