N-(5-chloranylpyridin-2-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)nipecotamide Formula: C21H24ClN5O5S MolecularWeight: 493.96376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)NC4=NC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)NC4=NC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O5S/c22-16-5-8-20(23-13-16)24-21(28)15-4-3-9-25(14-15)18-7-6-17(12-19(18)27(29)30)33(31,32)26-10-1-2-11-26/h5-8,12-13,15H,1-4,9-11,14H2,(H,23,24,28)