methyl 4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: methyl 4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: methyl 4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate Traditional Name: 4-(2-methyl-5-piperidinosulfonyl-benzoyl)piperazine-1-carboxylic acid methyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCN(CC3)C(=O)OC

InChI

InChI=1S/C19H27N3O5S/c1-15-6-7-16(28(25,26)22-8-4-3-5-9-22)14-17(15)18(23)20-10-12-21(13-11-20)19(24)27-2/h6-7,14H,3-5,8-13H2,1-2H3