ethyl 1-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(4-benzylpiperazino)sulfonylbenzoyl]isonipecotic acid ethyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c1-2-34-26(31)22-11-13-28(14-12-22)25(30)23-9-6-10-24(19-23)35(32,33)29-17-15-27(16-18-29)20-21-7-4-3-5-8-21/h3-10,19,22H,2,11-18,20H2,1H3