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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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