1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O5S/c19-16-4-3-15(23(25)26)10-17(16)29(27,28)22-8-5-14(6-9-22)18(24)21-12-13-2-1-7-20-11-13/h1-4,7,10-11,14H,5-6,8-9,12H2,(H,21,24)