2-[4-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-chloranyl-1-oxidanyl-naphthalen-2-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-chloro-1-hydroxy-2-naphthalenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-chloro-1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(4-chloro-1-hydroxy-2-naphthyl)methyl]piperazino]sulfonylbenzonitrile Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3C(=C2)Cl)O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3C(=C2)Cl)O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20ClN3O3S/c23-20-13-17(22(27)19-7-3-2-6-18(19)20)15-25-9-11-26(12-10-25)30(28,29)21-8-4-1-5-16(21)14-24/h1-8,13,27H,9-12,15H2