6-azanyl-2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]hexanoic acid Openeye Name: 6-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]hexanoic acid CAS Name: 6-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]hexanoic acid IUPAC Name: 6-amino-2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]hexanoic acid Traditional Name: 6-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]hexanoic acid Formula: C16H21ClN6O4S MolecularWeight: 428.89374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)NC(CCCCN)C(=O)O)C(=NC=C2Cl)N=C(N)N

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)NC(CCCCN)C(=O)O)C(=NC=C2Cl)N=C(N)N

InChI

InChI=1S/C16H21ClN6O4S/c17-12-8-21-14(22-16(19)20)11-7-9(4-5-10(11)12)28(26,27)23-13(15(24)25)3-1-2-6-18/h4-5,7-8,13,23H,1-3,6,18H2,(H,24,25)(H4,19,20,21,22)