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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O6S2/c1-15(25)22-16-5-7-17(8-6-16)23-19(26)14-30-20(27)13-18-9-10-21(31-18)32(28,29)24-11-3-2-4-12-24/h5-10H,2-4,11-14H2,1H3,(H,22,25)(H,23,26)