N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-1-(2-nitrophenyl)isonipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c1-22(15-16-7-9-18(28-2)10-8-16)21(25)17-11-13-23(14-12-17)19-5-3-4-6-20(19)24(26)27/h3-10,17H,11-15H2,1-2H3