2-azanyl-3,6-bis(oxidanylidene)-2-[2-(phenylsulfonyl)ethyl]hexanoic acid

Systemtic Name: 2-azanyl-3,6-bis(oxidanylidene)-2-[2-(phenylsulfonyl)ethyl]hexanoic acid Openeye Name: 2-amino-2-[2-(benzenesulfonyl)ethyl]-3,6-dioxo-hexanoic acid CAS Name: 2-amino-2-[2-(benzenesulfonyl)ethyl]-3,6-dioxohexanoic acid IUPAC Name: 2-amino-2-[2-(benzenesulfonyl)ethyl]-3,6-dioxohexanoic acid Traditional Name: 2-amino-2-(2-besylethyl)-3,6-diketo-hexanoic acid Formula: C14H17NO6S MolecularWeight: 327.35288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(C(=O)CCC=O)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(C(=O)CCC=O)(C(=O)O)N

InChI

InChI=1S/C14H17NO6S/c15-14(13(18)19,12(17)7-4-9-16)8-10-22(20,21)11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10,15H2,(H,18,19)