N-(2-chloranyl-4-nitro-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C19H21ClN4O5S2 MolecularWeight: 484.97684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21ClN4O5S2/c1-13(19(25)22-17-7-5-14(24(26)27)11-16(17)20)30-18-8-6-15(12-21-18)31(28,29)23-9-3-2-4-10-23/h5-8,11-13H,2-4,9-10H2,1H3,(H,22,25)