N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-propylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-propylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-propylphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-propylphenyl)sulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-propylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: 3-[(4-propylphenyl)sulfonylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C19H24N3O4S2+ MolecularWeight: 422.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C19H23N3O4S2/c1-2-5-15-9-11-17(12-10-15)27(23,24)21-16-6-3-7-18(14-16)28(25,26)22-19-8-4-13-20-19/h3,6-7,9-12,14,21H,2,4-5,8,13H2,1H3,(H,20,22)/p+1