1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-N-(2-hydroxyethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide Formula: C17H21ClN6O4S MolecularWeight: 440.90444

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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)C(=O)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN6O4S/c18-13-9-22-15(23-17(19)20)12-8-10(3-4-11(12)13)29(27,28)24-6-1-2-14(24)16(26)21-5-7-25/h3-4,8-9,14,25H,1-2,5-7H2,(H,21,26)(H4,19,20,22,23)