2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN4O4S/c19-16-4-2-13(28-16)10-20-5-7-21(8-6-20)11-22-17(24)14-3-1-12(23(26)27)9-15(14)18(22)25/h1-4,9H,5-8,10-11H2