N-(2-chloranyl-5-nitro-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[4-(2-thienylsulfonyl)piperazino]propionamide Formula: C17H19ClN4O5S2 MolecularWeight: 458.93956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19ClN4O5S2/c1-12(17(23)19-15-11-13(22(24)25)4-5-14(15)18)20-6-8-21(9-7-20)29(26,27)16-3-2-10-28-16/h2-5,10-12H,6-9H2,1H3,(H,19,23)