1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[3-(1-imidazolyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)isonipecotamide Formula: C18H22ClN5O5S MolecularWeight: 455.91578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN5O5S/c19-16-3-2-15(24(26)27)12-17(16)30(28,29)23-9-4-14(5-10-23)18(25)21-6-1-8-22-11-7-20-13-22/h2-3,7,11-14H,1,4-6,8-10H2,(H,21,25)