ethyl 4-[3-[2-(azepan-1-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[2-(azepan-1-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[2-(azepan-1-yl)ethylcarbamoyl]-1-piperidyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[2-(1-azepanyl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(azepan-1-yl)ethylcarbamoyl]piperidin-1-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-[2-(azepan-1-yl)ethylcarbamoyl]piperidino]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C21H39N5O5S MolecularWeight: 473.62986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCCN3CCCCCC3

InChI

InChI=1S/C21H39N5O5S/c1-2-31-21(28)24-14-16-25(17-15-24)32(29,30)26-12-7-8-19(18-26)20(27)22-9-13-23-10-5-3-4-6-11-23/h19H,2-18H2,1H3,(H,22,27)