[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21N3O5S2/c21-13-15-4-6-16(7-5-15)22-18(24)14-28-19(25)12-17-8-9-20(29-17)30(26,27)23-10-2-1-3-11-23/h4-9H,1-3,10-12,14H2,(H,22,24)