ethyl 4-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[(5-bromo-2-thienyl)sulfonyl]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C18H26BrN3O5S2 MolecularWeight: 508.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H26BrN3O5S2/c1-2-27-18(24)21-9-7-14(8-10-21)20-17(23)13-5-11-22(12-6-13)29(25,26)16-4-3-15(19)28-16/h3-4,13-14H,2,5-12H2,1H3,(H,20,23)