[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]methanone CAS Name: [1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]methanone Formula: C21H26BrN3O3S2 MolecularWeight: 512.48344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26BrN3O3S2/c22-19-8-9-20(29-19)30(27,28)25-10-4-7-18(16-25)21(26)24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,18H,4,7,10-16H2