[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O6S/c1-15(24)23-17-7-9-18(10-8-17)30(27,28)22-12-11-20(26)29-14-19(25)21-13-16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,25)(H,23,24)