4-[3-[methoxy(methyl)amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid

Systemtic Name: 4-[3-[methoxy(methyl)amino]-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid Openeye Name: 4-[2-(benzyloxycarbonylamino)-3-[methoxy(methyl)amino]-3-oxo-propyl]benzenesulfonic acid CAS Name: 4-[3-[methoxy(methyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid IUPAC Name: 4-[3-[methoxy(methyl)amino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]benzenesulfonic acid Traditional Name: 4-[2-(benzyloxycarbonylamino)-3-keto-3-[methoxy(methyl)amino]propyl]besylic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C(CC1=CC=C(C=C1)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

CN(C(=O)C(CC1=CC=C(C=C1)S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H22N2O7S/c1-21(27-2)18(22)17(12-14-8-10-16(11-9-14)29(24,25)26)20-19(23)28-13-15-6-4-3-5-7-15/h3-11,17H,12-13H2,1-2H3,(H,20,23)(H,24,25,26)