ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-pyrrolidinosulfonylphenyl)sulfonylnipecotic acid ethyl ester Formula: C18H26N2O6S2 MolecularWeight: 430.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H26N2O6S2/c1-2-26-18(21)15-6-5-13-20(14-15)28(24,25)17-9-7-16(8-10-17)27(22,23)19-11-3-4-12-19/h7-10,15H,2-6,11-14H2,1H3/t15-/m0/s1