1-(3-dodecylsulfonyl-4-nitro-phenyl)pyrrolidine

Systemtic Name: 1-(3-dodecylsulfonyl-4-nitro-phenyl)pyrrolidine Openeye Name: 1-(3-dodecylsulfonyl-4-nitro-phenyl)pyrrolidine CAS Name: 1-(3-dodecylsulfonyl-4-nitrophenyl)pyrrolidine IUPAC Name: 1-(3-dodecylsulfonyl-4-nitrophenyl)pyrrolidine Traditional Name: 1-(3-laurylsulfonyl-4-nitro-phenyl)pyrrolidine Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=C(C=CC(=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C22H36N2O4S/c1-2-3-4-5-6-7-8-9-10-13-18-29(27,28)22-19-20(23-16-11-12-17-23)14-15-21(22)24(25)26/h14-15,19H,2-13,16-18H2,1H3