1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-N-propyl-piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-N-propyl-piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-N-propyl-piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-N-propyl-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-N-propyl-isonipecotamide Formula: C16H22ClN3O5S MolecularWeight: 403.88098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H22ClN3O5S/c1-3-6-18-16(21)12-4-7-19(8-5-12)26(24,25)13-9-14(17)11(2)15(10-13)20(22)23/h9-10,12H,3-8H2,1-2H3,(H,18,21)