N-(3-cyanothiophen-2-yl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(3-nitrophenyl)sulfonylpiperazino]propionamide Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S2/c19-13-14-5-11-29-18(14)20-17(24)4-6-21-7-9-22(10-8-21)30(27,28)16-3-1-2-15(12-16)23(25)26/h1-3,5,11-12H,4,6-10H2,(H,20,24)