3,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperidine

Systemtic Name: 3,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperidine Openeye Name: 3,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperidine CAS Name: 3,5-dimethyl-1-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylpiperidine IUPAC Name: 3,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylpiperidine Traditional Name: 3,5-dimethyl-1-(3-nitro-4-pyrrolidino-phenyl)sulfonyl-piperidine Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H25N3O4S/c1-13-9-14(2)12-19(11-13)25(23,24)15-5-6-16(17(10-15)20(21)22)18-7-3-4-8-18/h5-6,10,13-14H,3-4,7-9,11-12H2,1-2H3