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

Systemtic Name: 4-chloranyl-N-[[5-(5-nitropyridin-2-yl)thiophen-2-yl]-piperazin-1-ylsulfonyl-methyl]benzamide Openeye Name: 4-chloro-N-[[5-(5-nitro-2-pyridyl)-2-thienyl]-piperazin-1-ylsulfonyl-methyl]benzamide CAS Name: 4-chloro-N-[[5-(5-nitro-2-pyridinyl)-2-thiophenyl]-(1-piperazinylsulfonyl)methyl]benzamide IUPAC Name: 4-chloro-N-[[5-(5-nitropyridin-2-yl)thiophen-2-yl]-piperazin-1-ylsulfonylmethyl]benzamide Traditional Name: 4-chloro-N-[[5-(5-nitro-2-pyridyl)-2-thienyl]-piperazinosulfonyl-methyl]benzamide Formula: C21H20ClN5O5S2 MolecularWeight: 521.997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C(C2=CC=C(S2)C3=NC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C(C2=CC=C(S2)C3=NC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)Cl

InChI

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