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

Systemtic Name: 3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]benzenesulfonamide CAS Name: 3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-[[4-[(2S)-butan-2-yl]phenyl]sulfonylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-[[4-[(1S)-1-methylpropyl]phenyl]sulfonylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C20H26N3O4S2+ MolecularWeight: 436.56814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S2/c1-3-15(2)16-9-11-18(12-10-16)28(24,25)22-17-6-4-7-19(14-17)29(26,27)23-20-8-5-13-21-20/h4,6-7,9-12,14-15,22H,3,5,8,13H2,1-2H3,(H,21,23)/p+1/t15-/m0/s1