3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-1H-pyrazol-2-ium-3-yl)benzamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CN1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC[N+]1=C(C=CN1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4O3S/c1-2-25-20(10-12-22-25)23-21(26)17-8-5-9-19(14-17)29(27,28)24-13-11-16-6-3-4-7-18(16)15-24/h3-10,12,14H,2,11,13,15H2,1H3,(H,22,23,26)/p+1