(2R,4S)-2-azanyl-4-[[4-(phenylsulfonylamino)phenyl]methyl]pentanedioic acid

Systemtic Name: (2R,4S)-2-azanyl-4-[[4-(phenylsulfonylamino)phenyl]methyl]pentanedioic acid Openeye Name: (2R,4S)-2-amino-4-[[4-(benzenesulfonamido)phenyl]methyl]pentanedioic acid CAS Name: (2R,4S)-2-amino-4-[[4-(benzenesulfonamido)phenyl]methyl]pentanedioic acid IUPAC Name: (2R,4S)-2-amino-4-[[4-(benzenesulfonamido)phenyl]methyl]pentanedioic acid Traditional Name: (2R,4S)-2-amino-4-[4-(benzenesulfonamido)benzyl]glutaric acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C[C@@H](C[C@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C18H20N2O6S/c19-16(18(23)24)11-13(17(21)22)10-12-6-8-14(9-7-12)20-27(25,26)15-4-2-1-3-5-15/h1-9,13,16,20H,10-11,19H2,(H,21,22)(H,23,24)/t13-,16+/m0/s1