(3S)-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[4-(1-piperidylsulfonyl)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-(1-piperidinylsulfonyl)phenyl]sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-piperidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-piperidinosulfonylphenyl)sulfonylnipecotate Formula: C17H23N2O6S2- MolecularWeight: 415.50432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C17H24N2O6S2/c20-17(21)14-5-4-12-19(13-14)27(24,25)16-8-6-15(7-9-16)26(22,23)18-10-2-1-3-11-18/h6-9,14H,1-5,10-13H2,(H,20,21)/p-1/t14-/m0/s1