chloranylbenzene; (E)-6-[4-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid

Systemtic Name: chloranylbenzene; (E)-6-[4-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid Openeye Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid; chlorobenzene CAS Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonyl-2-pyrrolidin-1-iumyl]-5-hexenoic acid; chlorobenzene IUPAC Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonylpyrrolidin-1-ium-2-yl]hex-5-enoic acid; chlorobenzene Traditional Name: (E)-6-[4-(benzenesulfonamido)-1-sulfonyl-pyrrolidin-1-ium-2-yl]hex-5-enoic acid; chlorobenzene Formula: C22H26ClN2O6S2+ MolecularWeight: 514.03464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[N+](=S(=O)=O)C1C=CCCCC(=O)O)NS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)Cl

Isomeric SMILES

C1C(C[N+](=S(=O)=O)C1/C=C/CCCC(=O)O)NS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H20N2O6S2.C6H5Cl/c19-16(20)10-6-1-3-7-14-11-13(12-18(14)25(21)22)17-26(23,24)15-8-4-2-5-9-15;7-6-4-2-1-3-5-6/h2-5,7-9,13-14,17H,1,6,10-12H2;1-5H/p+1/b7-3+;