ethyl 2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: ethyl 2-[(3-benzamido-2-oxo-4-phenyl-butyl)-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(3-benzamido-2-oxo-4-phenylbutyl)-(4-methylphenyl)sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzamido-2-oxo-4-phenylbutyl)-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[(3-benzamido-2-keto-4-phenyl-butyl)-tosyl-amino]acetic acid ethyl ester Formula: C28H30N2O6S MolecularWeight: 522.6126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN(CC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H30N2O6S/c1-3-36-27(32)20-30(37(34,35)24-16-14-21(2)15-17-24)19-26(31)25(18-22-10-6-4-7-11-22)29-28(33)23-12-8-5-9-13-23/h4-17,25H,3,18-20H2,1-2H3,(H,29,33)