N-(2-chloranyl-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O5S/c22-19-9-8-18(25(27)28)15-20(19)23-21(26)17-10-12-24(13-11-17)31(29,30)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,15,17H,4,7,10-14H2,(H,23,26)