N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-isopropyl-benzamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-14(2)15-5-7-16(8-6-15)20(24)22-17-9-11-18(12-10-17)27(25,26)23-19-4-3-13-21-19/h5-12,14H,3-4,13H2,1-2H3,(H,21,23)(H,22,24)/p+1