methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-indan-5-ylsulfonyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonyl-4-phenyl-isonipecotic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO4S/c1-27-21(24)22(19-8-3-2-4-9-19)12-14-23(15-13-22)28(25,26)20-11-10-17-6-5-7-18(17)16-20/h2-4,8-11,16H,5-7,12-15H2,1H3