methyl 4-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: methyl 1-benzyl-4-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]piperidine-4-carboxylate CAS Name: 4-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonyl-isonipecotic acid methyl ester Formula: C26H33BrN2O4S MolecularWeight: 549.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)OC)Br

InChI

InChI=1S/C26H33BrN2O4S/c1-20-18-23(8-9-24(20)27)22-10-14-29(15-11-22)34(31,32)26(25(30)33-2)12-16-28(17-13-26)19-21-6-4-3-5-7-21/h3-9,18,22H,10-17,19H2,1-2H3