chloranylbenzene; 6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hexanoic acid

Systemtic Name: chloranylbenzene; 6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hexanoic acid Openeye Name: chlorobenzene; 6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hexanoic acid CAS Name: chlorobenzene; 6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-2-pyrrolidin-1-iumyl]hexanoic acid IUPAC Name: chlorobenzene; 6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonylpyrrolidin-1-ium-2-yl]hexanoic acid Traditional Name: chlorobenzene; 6-[4-[(4-chlorophenyl)sulfonylamino]-1-sulfonyl-pyrrolidin-1-ium-2-yl]hexanoic acid Formula: C22H27Cl2N2O6S2+ MolecularWeight: 550.49558

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[N+](=S(=O)=O)C1CCCCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl.C1=CC=C(C=C1)Cl

Isomeric SMILES

C1C(C[N+](=S(=O)=O)C1CCCCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H21ClN2O6S2.C6H5Cl/c17-12-6-8-15(9-7-12)27(24,25)18-13-10-14(19(11-13)26(22)23)4-2-1-3-5-16(20)21;7-6-4-2-1-3-5-6/h6-9,13-14,18H,1-5,10-11H2;1-5H/p+1