2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanenitrile hydrochloride

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-2-piperidin-4-yl-ethanenitrile hydrochloride Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]-2-(4-piperidyl)acetonitrile hydrochloride CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]-2-(4-piperidinyl)acetonitrile hydrochloride IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-2-piperidin-4-ylacetonitrile hydrochloride Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]-2-(4-piperidyl)acetonitrile hydrochloride Formula: C21H24Cl2N4O3S MolecularWeight: 483.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

Isomeric SMILES

C1CNCCC1C(C#N)N2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl.Cl

InChI

InChI=1S/C21H23ClN4O3S.ClH/c22-18-3-1-17-12-19(4-2-16(17)11-18)30(28,29)25-9-10-26(21(27)14-25)20(13-23)15-5-7-24-8-6-15;/h1-4,11-12,15,20,24H,5-10,14H2;1H