4-chloranyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: 4-chloranyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: 4-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C21H19ClN4O3S2/c22-17-8-7-15(19(27)23-21-25-24-20(30-21)14-5-6-14)11-18(17)31(28,29)26-10-9-13-3-1-2-4-16(13)12-26/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,23,25,27)