ethyl 4-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3,4-dimethoxyphenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7S/c1-4-31-21(26)23-13-11-22(12-14-23)20(25)16-7-9-24(10-8-16)32(27,28)17-5-6-18(29-2)19(15-17)30-3/h5-6,15-16H,4,7-14H2,1-3H3