ethyl 1-[4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-chloro-3-(3-methylpiperidino)sulfonyl-benzoyl]nipecotic acid ethyl ester Formula: C21H29ClN2O5S MolecularWeight: 456.98336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H29ClN2O5S/c1-3-29-21(26)17-7-5-10-23(14-17)20(25)16-8-9-18(22)19(12-16)30(27,28)24-11-4-6-15(2)13-24/h8-9,12,15,17H,3-7,10-11,13-14H2,1-2H3