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

Systemtic Name: N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-[(4-methylpiperidino)methyl]benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3S/c1-17-11-13-25(14-12-17)16-20-5-3-19(4-6-20)15-24-23(27)18(2)30-22-9-7-21(8-10-22)26(28)29/h3-10,17-18H,11-16H2,1-2H3,(H,24,27)