ethyl 1-[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-chloro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(4-methylpiperidino)sulfonyl-benzoyl]isonipecotic acid ethyl ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)C)Cl

InChI

InChI=1S/C21H29ClN2O5S/c1-3-29-21(26)16-8-10-23(11-9-16)20(25)18-14-17(4-5-19(18)22)30(27,28)24-12-6-15(2)7-13-24/h4-5,14-16H,3,6-13H2,1-2H3