2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N4O3S2/c1-3-11-26-20-9-8-18(31(23,28)29)13-19(20)24-22(26)30-15(2)21(27)25-12-10-16-6-4-5-7-17(16)14-25/h4-9,13,15H,3,10-12,14H2,1-2H3,(H2,23,28,29)/t15-/m1/s1