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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Br

InChI

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