chloranylbenzene; 5-[(E)-pent-1-enyl]-3-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: chloranylbenzene; 5-[(E)-pent-1-enyl]-3-(phenylsulfonylamino)-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid; chlorobenzene CAS Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonyl-2-pyrrolidin-1-iumcarboxylic acid; chlorobenzene IUPAC Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonylpyrrolidin-1-ium-2-carboxylic acid; chlorobenzene Traditional Name: 3-(benzenesulfonamido)-5-[(E)-pent-1-enyl]-1-sulfonyl-pyrrolidin-1-ium-2-carboxylic acid; chlorobenzene Formula: C22H26ClN2O6S2+ MolecularWeight: 514.03464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1CC(C([N+]1=S(=O)=O)C(=O)O)NS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC/C=C/C1CC(C([N+]1=S(=O)=O)C(=O)O)NS(=O)(=O)C2=CC=CC=C2.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H20N2O6S2.C6H5Cl/c1-2-3-5-8-12-11-14(15(16(19)20)18(12)25(21)22)17-26(23,24)13-9-6-4-7-10-13;7-6-4-2-1-3-5-6/h4-10,12,14-15,17H,2-3,11H2,1H3;1-5H/p+1/b8-5+;