5-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]thiophene-2-carbonitrile

Systemtic Name: 5-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]thiophene-2-carbonitrile Openeye Name: 5-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]thiophene-2-carbonitrile CAS Name: 5-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-2-thiophenecarbonitrile IUPAC Name: 5-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]thiophene-2-carbonitrile Traditional Name: 5-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]thiophene-2-carbonitrile Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC4=CC=C(S4)C#N

Isomeric SMILES

C1CN(C(=O)CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC4=CC=C(S4)C#N

InChI

InChI=1S/C20H16ClN3O3S2/c21-16-3-1-15-10-19(6-2-14(15)9-16)29(26,27)24-8-7-23(20(25)13-24)12-18-5-4-17(11-22)28-18/h1-6,9-10H,7-8,12-13H2