4-[4-(3-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-oxidanylnaphthalen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(3-hydroxy-2-naphthalenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3-hydroxy-2-naphthoyl)piperazino]sulfonylbenzonitrile Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2O)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3C=C2O)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H19N3O4S/c23-15-16-5-7-19(8-6-16)30(28,29)25-11-9-24(10-12-25)22(27)20-13-17-3-1-2-4-18(17)14-21(20)26/h1-8,13-14,26H,9-12H2