4-chloranyl-N-[[5-[4-(5-nitropyridin-2-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-[4-(5-nitropyridin-2-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[4-(5-nitro-2-pyridyl)piperazin-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[4-(5-nitro-2-pyridinyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[4-(5-nitropyridin-2-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[4-(5-nitro-2-pyridyl)piperazino]sulfonyl-2-thienyl]methyl]benzamide Formula: C21H20ClN5O5S2 MolecularWeight: 521.997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)CNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O5S2/c22-16-3-1-15(2-4-16)21(28)24-14-18-6-8-20(33-18)34(31,32)26-11-9-25(10-12-26)19-7-5-17(13-23-19)27(29)30/h1-8,13H,9-12,14H2,(H,24,28)