1-[2-(4-nitrophenyl)sulfanylpropanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[(4-nitrophenyl)thio]propanoyl]-N-phenyl-nipecotamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC(C1)C(=O)NC2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4S/c1-15(29-19-11-9-18(10-12-19)24(27)28)21(26)23-13-5-6-16(14-23)20(25)22-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,22,25)