ethyl 1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methyl]-4-(4-prop-2-ynoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-bromobenzyl)-4-(4-propargyloxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C24H26BrNO5S MolecularWeight: 520.43594

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO5S/c1-3-17-31-21-9-11-22(12-10-21)32(28,29)24(23(27)30-4-2)13-15-26(16-14-24)18-19-5-7-20(25)8-6-19/h1,5-12H,4,13-18H2,2H3