2-[4-chloranyl-7-[(4-oxidanylidene-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]isoquinolin-1-yl]guanidine

Systemtic Name: 2-[4-chloranyl-7-[(4-oxidanylidene-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]isoquinolin-1-yl]guanidine Openeye Name: 2-[4-chloro-7-[(4-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]-1-isoquinolyl]guanidine CAS Name: 2-[4-chloro-7-[(4-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]-1-isoquinolinyl]guanidine IUPAC Name: 2-[4-chloro-7-[(4-oxo-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]isoquinolin-1-yl]guanidine Traditional Name: 2-[4-chloro-7-[(4-keto-7-oxa-10-azaspiro[4.5]decan-10-yl)sulfonyl]-1-isoquinolyl]guanidine Formula: C18H20ClN5O4S MolecularWeight: 437.9005

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2(C1)COCCN2S(=O)(=O)C3=CC4=C(C=C3)C(=CN=C4N=C(N)N)Cl

Isomeric SMILES

C1CC(=O)C2(C1)COCCN2S(=O)(=O)C3=CC4=C(C=C3)C(=CN=C4N=C(N)N)Cl

InChI

InChI=1S/C18H20ClN5O4S/c19-14-9-22-16(23-17(20)21)13-8-11(3-4-12(13)14)29(26,27)24-6-7-28-10-18(24)5-1-2-15(18)25/h3-4,8-9H,1-2,5-7,10H2,(H4,20,21,22,23)