ethyl 4-[4-(2-ethylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[4-(2-ethylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-benzyl-4-[4-(2-ethylbutoxy)phenyl]sulfonyl-piperidine-4-carboxylate CAS Name: 4-[4-(2-ethylbutoxy)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-[4-(2-ethylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-benzyl-4-[4-(2-ethylbutoxy)phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C27H37NO5S MolecularWeight: 487.65138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(CC)COC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C27H37NO5S/c1-4-22(5-2)21-33-24-12-14-25(15-13-24)34(30,31)27(26(29)32-6-3)16-18-28(19-17-27)20-23-10-8-7-9-11-23/h7-15,22H,4-6,16-21H2,1-3H3