ethyl 1-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromobenzyl)-4-(4-methoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C22H26BrNO5S MolecularWeight: 496.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26BrNO5S/c1-3-29-21(25)22(30(26,27)20-10-8-19(28-2)9-11-20)12-14-24(15-13-22)16-17-4-6-18(23)7-5-17/h4-11H,3,12-16H2,1-2H3