2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanedioic acid

Systemtic Name: 2-[[(E)-3-(phenylsulfonyl)prop-2-enoyl]amino]butanedioic acid Openeye Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]butanedioic acid CAS Name: 2-[[(E)-3-(benzenesulfonyl)-1-oxoprop-2-enyl]amino]butanedioic acid IUPAC Name: 2-[[(E)-3-(benzenesulfonyl)prop-2-enoyl]amino]butanedioic acid Traditional Name: 2-[[(E)-3-besylacryloyl]amino]succinic acid Formula: C13H13NO7S MolecularWeight: 327.30982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C=CC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO7S/c15-11(14-10(13(18)19)8-12(16)17)6-7-22(20,21)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,14,15)(H,16,17)(H,18,19)/b7-6+