[4-[(2S)-3-oxidanylidene-2-(phenoxycarbonylamino)-3-phenylazanyl-propyl]phenyl]sulfamic acid

Systemtic Name: [4-[(2S)-3-oxidanylidene-2-(phenoxycarbonylamino)-3-phenylazanyl-propyl]phenyl]sulfamic acid Openeye Name: [4-[(2S)-3-anilino-3-oxo-2-(phenoxycarbonylamino)propyl]phenyl]sulfamic acid CAS Name: [4-[(2S)-3-anilino-3-oxo-2-[[oxo(phenoxy)methyl]amino]propyl]phenyl]sulfamic acid IUPAC Name: [4-[(2S)-3-anilino-3-oxo-2-(phenoxycarbonylamino)propyl]phenyl]sulfamic acid Traditional Name: [4-[(2S)-3-anilino-2-(carbophenoxyamino)-3-keto-propyl]phenyl]sulfamic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C(CC2=CC=C(C=C2)NS(=O)(=O)O)NC(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=C(C=C2)NS(=O)(=O)O)NC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6S/c26-21(23-17-7-3-1-4-8-17)20(24-22(27)31-19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)25-32(28,29)30/h1-14,20,25H,15H2,(H,23,26)(H,24,27)(H,28,29,30)/t20-/m0/s1