(3S)-3-methyl-1-(3-nitro-4-piperidin-1-yl-phenyl)sulfonyl-piperidine

Systemtic Name: (3S)-3-methyl-1-(3-nitro-4-piperidin-1-yl-phenyl)sulfonyl-piperidine Openeye Name: (3S)-3-methyl-1-[3-nitro-4-(1-piperidyl)phenyl]sulfonyl-piperidine CAS Name: (3S)-3-methyl-1-[3-nitro-4-(1-piperidinyl)phenyl]sulfonylpiperidine IUPAC Name: (3S)-3-methyl-1-(3-nitro-4-piperidin-1-ylphenyl)sulfonylpiperidine Traditional Name: (3S)-3-methyl-1-(3-nitro-4-piperidino-phenyl)sulfonyl-piperidine Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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