4-methoxy-1-[2-(3-nitrophenyl)ethyl]-3-(phenylsulfinylmethyl)piperidine

Systemtic Name: 4-methoxy-1-[2-(3-nitrophenyl)ethyl]-3-(phenylsulfinylmethyl)piperidine Openeye Name: 3-(benzenesulfinylmethyl)-4-methoxy-1-[2-(3-nitrophenyl)ethyl]piperidine CAS Name: 3-(benzenesulfinylmethyl)-4-methoxy-1-[2-(3-nitrophenyl)ethyl]piperidine IUPAC Name: 3-(benzenesulfinylmethyl)-4-methoxy-1-[2-(3-nitrophenyl)ethyl]piperidine Traditional Name: 3-(benzenesulfinylmethyl)-4-methoxy-1-[2-(3-nitrophenyl)ethyl]piperidine Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1CS(=O)C2=CC=CC=C2)CCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1CCN(CC1CS(=O)C2=CC=CC=C2)CCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O4S/c1-27-21-11-13-22(12-10-17-6-5-7-19(14-17)23(24)25)15-18(21)16-28(26)20-8-3-2-4-9-20/h2-9,14,18,21H,10-13,15-16H2,1H3