1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-methyl-amino]cyclopentane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1(CCCC1)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CN(C1(CCCC1)C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C17H20ClN5O4S/c1-23(17(15(24)25)6-2-3-7-17)28(26,27)10-4-5-11-12(8-10)14(22-16(19)20)21-9-13(11)18/h4-5,8-9H,2-3,6-7H2,1H3,(H,24,25)(H4,19,20,21,22)