(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H22N4O6S2/c1-2-29-20(26)17-16(15(10-21)18(22)31-17)12-30-19(25)13-5-8-24(9-6-13)32(27,28)14-4-3-7-23-11-14/h3-4,7,11,13H,2,5-6,8-9,12,22H2,1H3