3-[(2S)-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)pyrrolidin-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)pyrrolidin-2-yl]pyridine Openeye Name: 3-[(2S)-1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]pyrrolidin-2-yl]pyridine CAS Name: 3-[(2S)-1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-2-pyrrolidinyl]pyridine IUPAC Name: 3-[(2S)-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pyrrolidin-2-yl]pyridine Traditional Name: 3-[(2S)-1-(2-nitro-4-piperidinosulfonyl-phenyl)pyrrolidin-2-yl]pyridine Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H]3C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c25-24(26)20-14-17(29(27,28)22-11-2-1-3-12-22)8-9-19(20)23-13-5-7-18(23)16-6-4-10-21-15-16/h4,6,8-10,14-15,18H,1-3,5,7,11-13H2/t18-/m0/s1