ethyl 4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3R)-3-methylpiperidino]sulfonylbenzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C20H29N3O5S/c1-3-28-20(25)22-13-11-21(12-14-22)19(24)17-6-8-18(9-7-17)29(26,27)23-10-4-5-16(2)15-23/h6-9,16H,3-5,10-15H2,1-2H3/t16-/m1/s1