(3S)-3-methyl-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine

Systemtic Name: (3S)-3-methyl-1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperidine Openeye Name: (3S)-3-methyl-1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperidine CAS Name: (3S)-3-methyl-1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperidine IUPAC Name: (3S)-3-methyl-1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidine Traditional Name: (3S)-3-methyl-1-(2-nitro-4-piperidinosulfonyl-phenyl)piperidine Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4S/c1-14-6-5-9-18(13-14)16-8-7-15(12-17(16)20(21)22)25(23,24)19-10-3-2-4-11-19/h7-8,12,14H,2-6,9-11,13H2,1H3/t14-/m0/s1