N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[3-methyl-2-(4-methyl-1-piperidyl)butyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[3-methyl-2-(4-methyl-1-piperidinyl)butyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[3-methyl-2-(4-methylpiperidino)butyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H31N3O3S/c1-14(2)19(22-11-9-15(3)10-12-22)13-21-20(24)16(4)27-18-7-5-17(6-8-18)23(25)26/h5-8,14-16,19H,9-13H2,1-4H3,(H,21,24)