1-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]cyclohexanecarboxylic acid CAS Name: 1-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylcyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]cyclohexanecarboxylic acid Formula: C17H20ClN5O4S MolecularWeight: 425.8898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)(C(=O)O)N

Isomeric SMILES

C1CCC(C(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)(C(=O)O)N

InChI

InChI=1S/C17H20ClN5O4S/c18-12-8-22-14(23-16(19)20)11-7-9(4-5-10(11)12)28(26,27)13-3-1-2-6-17(13,21)15(24)25/h4-5,7-8,13H,1-3,6,21H2,(H,24,25)(H4,19,20,22,23)