1-(5-bromanylthiophen-2-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]piperidine-3-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-[1-(phenylmethyl)piperidin-4-yl]piperidine-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-1-[(5-bromo-2-thienyl)sulfonyl]nipecotamide Formula: C22H28BrN3O3S2 MolecularWeight: 526.51002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28BrN3O3S2/c23-20-8-9-21(30-20)31(28,29)26-12-4-7-18(16-26)22(27)24-19-10-13-25(14-11-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,18-19H,4,7,10-16H2,(H,24,27)