N-[2-(4-chlorophenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(2-nitrophenyl)isonipecotamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c21-16-5-7-17(8-6-16)28-14-11-22-20(25)15-9-12-23(13-10-15)18-3-1-2-4-19(18)24(26)27/h1-8,15H,9-14H2,(H,22,25)