2-bromanyl-N-[[1-ethylsulfonyl-4-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]-4-methyl-benzamide

Systemtic Name: 2-bromanyl-N-[[1-ethylsulfonyl-4-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]-4-methyl-benzamide Openeye Name: 2-bromo-N-[[1-ethylsulfonyl-4-(tetrahydrofuran-2-ylmethyl)-4-piperidyl]methyl]-4-methyl-benzamide CAS Name: 2-bromo-N-[[1-ethylsulfonyl-4-(2-oxolanylmethyl)-4-piperidinyl]methyl]-4-methylbenzamide IUPAC Name: 2-bromo-N-[[1-ethylsulfonyl-4-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]-4-methylbenzamide Traditional Name: 2-bromo-N-[[1-esyl-4-(tetrahydrofurfuryl)-4-piperidyl]methyl]-4-methyl-benzamide Formula: C21H31BrN2O4S MolecularWeight: 487.45084

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)(CC2CCCO2)CNC(=O)C3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)(CC2CCCO2)CNC(=O)C3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H31BrN2O4S/c1-3-29(26,27)24-10-8-21(9-11-24,14-17-5-4-12-28-17)15-23-20(25)18-7-6-16(2)13-19(18)22/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,23,25)