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

Systemtic Name: ethyl 1-[2-(2-chloranyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-chloro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-chloro-4-pyrrolidinosulfonyl-phenoxy)acetyl]isonipecotic acid ethyl ester Formula: C20H27ClN2O6S MolecularWeight: 458.95618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O6S/c1-2-28-20(25)15-7-11-22(12-8-15)19(24)14-29-18-6-5-16(13-17(18)21)30(26,27)23-9-3-4-10-23/h5-6,13,15H,2-4,7-12,14H2,1H3