1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-phenethyl-piperidine

Systemtic Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-phenethyl-piperidine Openeye Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-phenethyl-piperidine CAS Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-phenethylpiperidine IUPAC Name: 1-(4-methoxy-3-nitrophenyl)sulfonyl-4-phenethylpiperidine Traditional Name: 1-(4-methoxy-3-nitro-phenyl)sulfonyl-4-phenethyl-piperidine Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5S/c1-27-20-10-9-18(15-19(20)22(23)24)28(25,26)21-13-11-17(12-14-21)8-7-16-5-3-2-4-6-16/h2-6,9-10,15,17H,7-8,11-14H2,1H3