ethyl 4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(4-methyl-3-piperidinosulfonyl-benzoyl)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)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-3-28-20(25)22-13-11-21(12-14-22)19(24)17-8-7-16(2)18(15-17)29(26,27)23-9-5-4-6-10-23/h7-8,15H,3-6,9-14H2,1-2H3