[4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [4-[(2-chlorophenyl)methylthio]-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: [4-[(2-chlorobenzyl)thio]-3-nitro-phenyl]-piperidino-methanone Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O3S/c20-16-7-3-2-6-15(16)13-26-18-9-8-14(12-17(18)22(24)25)19(23)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2