2-[4-chloranyl-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-isoquinolin-1-yl]guanidine

Systemtic Name: 2-[4-chloranyl-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-isoquinolin-1-yl]guanidine Openeye Name: 2-[4-chloro-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-isoquinolyl]guanidine CAS Name: 2-[4-chloro-7-[[2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]-1-isoquinolinyl]guanidine IUPAC Name: 2-[4-chloro-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylisoquinolin-1-yl]guanidine Traditional Name: 2-[4-chloro-7-(2-methylolpyrrolidino)sulfonyl-1-isoquinolyl]guanidine Formula: C15H18ClN5O3S MolecularWeight: 383.85312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)CO

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)CO

InChI

InChI=1S/C15H18ClN5O3S/c16-13-7-19-14(20-15(17)18)12-6-10(3-4-11(12)13)25(23,24)21-5-1-2-9(21)8-22/h3-4,6-7,9,22H,1-2,5,8H2,(H4,17,18,19,20)