2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazino]-N-propyl-acetamide Formula: C20H31N5O5S MolecularWeight: 453.55564

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H31N5O5S/c1-2-8-21-20(26)16-22-11-13-23(14-12-22)18-7-6-17(15-19(18)25(27)28)31(29,30)24-9-4-3-5-10-24/h6-7,15H,2-5,8-14,16H2,1H3,(H,21,26)