(phenylmethyl) 2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate

Systemtic Name: (phenylmethyl) 2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoate Openeye Name: benzyl 4-(benzylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-[(phenylmethyl)amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(benzylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxobutanoate Traditional Name: 4-(benzylamino)-4-keto-2-[(4-methoxyphenyl)sulfonylamino]butyric acid benzyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26N2O6S/c1-32-21-12-14-22(15-13-21)34(30,31)27-23(25(29)33-18-20-10-6-3-7-11-20)16-24(28)26-17-19-8-4-2-5-9-19/h2-15,23,27H,16-18H2,1H3,(H,26,28)