2-(4-nitrophenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[[2-(1-piperidylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[[2-(1-piperidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-[2-(piperidinomethyl)benzyl]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3S/c25-21(16-28-20-10-8-19(9-11-20)24(26)27)22-14-17-6-2-3-7-18(17)15-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25)