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

Systemtic Name: 4-chloranyl-N-[[5-(4-nitrophenyl)thiophen-2-yl]-piperazin-1-ylsulfonyl-methyl]benzamide Openeye Name: 4-chloro-N-[[5-(4-nitrophenyl)-2-thienyl]-piperazin-1-ylsulfonyl-methyl]benzamide CAS Name: 4-chloro-N-[[5-(4-nitrophenyl)-2-thiophenyl]-(1-piperazinylsulfonyl)methyl]benzamide IUPAC Name: 4-chloro-N-[[5-(4-nitrophenyl)thiophen-2-yl]-piperazin-1-ylsulfonylmethyl]benzamide Traditional Name: 4-chloro-N-[[5-(4-nitrophenyl)-2-thienyl]-piperazinosulfonyl-methyl]benzamide Formula: C22H21ClN4O5S2 MolecularWeight: 521.00894

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H21ClN4O5S2/c23-17-5-1-16(2-6-17)21(28)25-22(34(31,32)26-13-11-24-12-14-26)20-10-9-19(33-20)15-3-7-18(8-4-15)27(29)30/h1-10,22,24H,11-14H2,(H,25,28)