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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)CNC(=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)22-14-17-4-6-18(7-5-17)15-23-12-2-1-3-13-23/h4-11H,1-3,12-16H2,(H,22,25)