3-[(4-acetamido-2-phenylmethoxy-phenyl)sulfonylamino]-4-[methoxy(methyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-acetamido-2-phenylmethoxy-phenyl)sulfonylamino]-4-[methoxy(methyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-acetamido-2-benzyloxy-phenyl)sulfonylamino]-4-[methoxy(methyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(4-acetamido-2-phenylmethoxyphenyl)sulfonylamino]-4-[methoxy(methyl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(4-acetamido-2-phenylmethoxyphenyl)sulfonylamino]-4-[methoxy(methyl)amino]-4-oxobutanoic acid Traditional Name: 3-[(4-acetamido-2-benzoxy-phenyl)sulfonylamino]-4-keto-4-[methoxy(methyl)amino]butyric acid Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)N(C)OC)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(=O)N(C)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O8S/c1-14(25)22-16-9-10-19(18(11-16)32-13-15-7-5-4-6-8-15)33(29,30)23-17(12-20(26)27)21(28)24(2)31-3/h4-11,17,23H,12-13H2,1-3H3,(H,22,25)(H,26,27)