1-(4-chloranyl-3-nitro-phenyl)sulfonyl-N,N-bis[3-(dimethylamino)propyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-N,N-bis[3-(dimethylamino)propyl]piperidine-4-carboxamide Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-N,N-bis[3-(dimethylamino)propyl]piperidine-4-carboxamide CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-N,N-bis[3-(dimethylamino)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-N,N-bis[3-(dimethylamino)propyl]piperidine-4-carboxamide Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-N,N-bis[3-(dimethylamino)propyl]isonipecotamide Formula: C22H36ClN5O5S MolecularWeight: 518.06974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36ClN5O5S/c1-24(2)11-5-13-26(14-6-12-25(3)4)22(29)18-9-15-27(16-10-18)34(32,33)19-7-8-20(23)21(17-19)28(30)31/h7-8,17-18H,5-6,9-16H2,1-4H3