(phenylmethyl) 2-[butanoyl-(4-methylsulfonylphenyl)amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[butanoyl-(4-methylsulfonylphenyl)amino]-4-methyl-pentanoate Openeye Name: benzyl 2-(N-butanoyl-4-methylsulfonyl-anilino)-4-methyl-pentanoate CAS Name: 4-methyl-2-[4-methylsulfonyl-N-(1-oxobutyl)anilino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(N-butanoyl-4-methylsulfonylanilino)-4-methylpentanoate Traditional Name: 2-(N-butyryl-4-mesyl-anilino)-4-methyl-valeric acid benzyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=C(C=C1)S(=O)(=O)C)C(CC(C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)N(C1=CC=C(C=C1)S(=O)(=O)C)C(CC(C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H31NO5S/c1-5-9-23(26)25(20-12-14-21(15-13-20)31(4,28)29)22(16-18(2)3)24(27)30-17-19-10-7-6-8-11-19/h6-8,10-15,18,22H,5,9,16-17H2,1-4H3