1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[2-(phenylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[2-(phenylthio)ethyl]isonipecotamide Formula: C20H22ClN3O5S2 MolecularWeight: 483.98878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O5S2/c21-18-7-6-16(24(26)27)14-19(18)31(28,29)23-11-8-15(9-12-23)20(25)22-10-13-30-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,22,25)