4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C24H27N4O3S2+ MolecularWeight: 483.62618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H26N4O3S2/c29-23(26-24-25-21(17-32-24)16-27-12-3-4-13-27)19-7-9-22(10-8-19)33(30,31)28-14-11-18-5-1-2-6-20(18)15-28/h1-2,5-10,17H,3-4,11-16H2,(H,25,26,29)/p+1