[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone Openeye Name: [1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinyl]-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C21H25BrClN3O3S2 MolecularWeight: 546.9285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C21H25BrClN3O3S2/c1-15-4-5-17(23)13-18(15)24-9-11-25(12-10-24)21(27)16-3-2-8-26(14-16)31(28,29)20-7-6-19(22)30-20/h4-7,13,16H,2-3,8-12,14H2,1H3