2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-3-phenyl-propionic acid Formula: C19H18ClN5O4S MolecularWeight: 447.89532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C19H18ClN5O4S/c20-15-10-23-17(24-19(21)22)14-9-12(6-7-13(14)15)30(28,29)25-16(18(26)27)8-11-4-2-1-3-5-11/h1-7,9-10,16,25H,8H2,(H,26,27)(H4,21,22,23,24)