ethyl 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylate CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylate Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)isonipecotic acid ethyl ester Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CCCOC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H37NO6S/c1-3-5-21-33-24-12-14-25(15-13-24)35(30,31)27(26(29)32-4-2)16-19-28(20-17-27)18-9-22-34-23-10-7-6-8-11-23/h6-8,10-15H,3-5,9,16-22H2,1-2H3