ethyl 4-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]-1-piperidyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[(2,5-dimethoxyphenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[(2,5-dimethoxybenzyl)carbamoyl]piperidino]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C22H34N4O7S MolecularWeight: 498.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H34N4O7S/c1-4-33-22(28)24-10-12-25(13-11-24)34(29,30)26-9-5-6-17(16-26)21(27)23-15-18-14-19(31-2)7-8-20(18)32-3/h7-8,14,17H,4-6,9-13,15-16H2,1-3H3,(H,23,27)