1-[2-(4-nitrophenyl)sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-(4-nitrophenyl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-(4-nitrophenyl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: 1-[2-[(4-nitrophenyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-nitrophenyl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[(4-nitrophenyl)thio]acetyl]nipecotamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C14H17N3O4S/c15-14(19)10-2-1-7-16(8-10)13(18)9-22-12-5-3-11(4-6-12)17(20)21/h3-6,10H,1-2,7-9H2,(H2,15,19)