[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C22H28N2O5S2/c1-15-11-16(2)22(17(3)12-15)23-19(25)14-29-20(26)13-18-7-8-21(30-18)31(27,28)24-9-5-4-6-10-24/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3,(H,23,25)