(3-ethoxycarbonylfuran-2-yl)methyl 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 4-phenyl-1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-(benzenesulfonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-phenyl-4-piperidinecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(benzenesulfonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-besyl-4-phenyl-isonipecotic acid (3-carbethoxy-2-furyl)methyl ester Formula: C26H27NO7S MolecularWeight: 497.56008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO7S/c1-2-32-24(28)22-13-18-33-23(22)19-34-25(29)26(20-9-5-3-6-10-20)14-16-27(17-15-26)35(30,31)21-11-7-4-8-12-21/h3-13,18H,2,14-17,19H2,1H3