[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C25H32N2O5S/c1-3-21-9-7-8-19(2)25(21)26-23(28)18-32-24(29)15-12-20-10-13-22(14-11-20)33(30,31)27-16-5-4-6-17-27/h7-11,13-14H,3-6,12,15-18H2,1-2H3,(H,26,28)