(2S)-2-azanyl-5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentane-1-sulfonic acid

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[(4-phenoxyphenyl)amino]pentane-1-sulfonic acid Openeye Name: (2S)-2-amino-5-oxo-5-(4-phenoxyanilino)pentane-1-sulfonic acid CAS Name: (2S)-2-amino-5-oxo-5-(4-phenoxyanilino)-1-pentanesulfonic acid IUPAC Name: (2S)-2-amino-5-oxo-5-(4-phenoxyanilino)pentane-1-sulfonic acid Traditional Name: (2S)-2-amino-5-keto-5-(4-phenoxyanilino)pentane-1-sulfonic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC(CS(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC[C@@H](CS(=O)(=O)O)N

InChI

InChI=1S/C17H20N2O5S/c18-13(12-25(21,22)23)6-11-17(20)19-14-7-9-16(10-8-14)24-15-4-2-1-3-5-15/h1-5,7-10,13H,6,11-12,18H2,(H,19,20)(H,21,22,23)/t13-/m0/s1