[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C24H26N2O5S/c1-3-18-10-6-7-17(2)24(18)26-22(27)16-31-23(28)13-14-25-32(29,30)21-12-11-19-8-4-5-9-20(19)15-21/h4-12,15,25H,3,13-14,16H2,1-2H3,(H,26,27)