ethyl 4-[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(2-methoxy-5-methyl-phenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-methoxy-5-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-methoxy-5-methyl-phenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C21H31N3O6S/c1-4-30-21(26)23-13-11-22(12-14-23)20(25)17-7-9-24(10-8-17)31(27,28)19-15-16(2)5-6-18(19)29-3/h5-6,15,17H,4,7-14H2,1-3H3