ethyl 4-(4-methoxyphenyl)carbonyl-3-[2-methylsulfonyloxybutanoyl-(phenylmethyl)amino]benzoate

Systemtic Name: ethyl 4-(4-methoxyphenyl)carbonyl-3-[2-methylsulfonyloxybutanoyl-(phenylmethyl)amino]benzoate Openeye Name: ethyl 3-[benzyl(2-methylsulfonyloxybutanoyl)amino]-4-(4-methoxybenzoyl)benzoate CAS Name: 4-[(4-methoxyphenyl)-oxomethyl]-3-[(2-methylsulfonyloxy-1-oxobutyl)-(phenylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(2-methylsulfonyloxybutanoyl)amino]-4-(4-methoxybenzoyl)benzoate Traditional Name: 3-[benzyl(2-methylsulfonyloxybutanoyl)amino]-4-p-anisoyl-benzoic acid ethyl ester Formula: C29H31NO8S MolecularWeight: 553.62334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)OCC)C(=O)C3=CC=C(C=C3)OC)OS(=O)(=O)C

Isomeric SMILES

CCC(C(=O)N(CC1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)OCC)C(=O)C3=CC=C(C=C3)OC)OS(=O)(=O)C

InChI

InChI=1S/C29H31NO8S/c1-5-26(38-39(4,34)35)28(32)30(19-20-10-8-7-9-11-20)25-18-22(29(33)37-6-2)14-17-24(25)27(31)21-12-15-23(36-3)16-13-21/h7-18,26H,5-6,19H2,1-4H3