methyl 1-[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-besylpiperazino)methyl]benzoyl]isonipecotic acid methyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O5S/c1-33-25(30)22-11-13-27(14-12-22)24(29)21-9-7-20(8-10-21)19-26-15-17-28(18-16-26)34(31,32)23-5-3-2-4-6-23/h2-10,22H,11-19H2,1H3