ethyl 1-[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)acetyl]isonipecotic acid ethyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C21H30N2O6S/c1-3-28-21(25)17-8-12-22(13-9-17)20(24)15-29-19-7-6-18(14-16(19)2)30(26,27)23-10-4-5-11-23/h6-7,14,17H,3-5,8-13,15H2,1-2H3