2-[4-chloranyl-7-(phenylsulfonyl)isoquinolin-1-yl]guanidine

Systemtic Name: 2-[4-chloranyl-7-(phenylsulfonyl)isoquinolin-1-yl]guanidine Openeye Name: 2-[7-(benzenesulfonyl)-4-chloro-1-isoquinolyl]guanidine CAS Name: 2-[7-(benzenesulfonyl)-4-chloro-1-isoquinolinyl]guanidine IUPAC Name: 2-[7-(benzenesulfonyl)-4-chloroisoquinolin-1-yl]guanidine Traditional Name: 2-(7-besyl-4-chloro-1-isoquinolyl)guanidine Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S/c17-14-9-20-15(21-16(18)19)13-8-11(6-7-12(13)14)24(22,23)10-4-2-1-3-5-10/h1-9H,(H4,18,19,20,21)