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

Systemtic Name: [1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C22H28BrN3O3S2 MolecularWeight: 526.51002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3S2/c1-16-5-3-7-19(17(16)2)24-11-13-25(14-12-24)22(27)18-6-4-10-26(15-18)31(28,29)21-9-8-20(23)30-21/h3,5,7-9,18H,4,6,10-15H2,1-2H3