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

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]butanedioic acid Openeye Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]butanedioic acid CAS Name: 2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]butanedioic acid IUPAC Name: 2-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]butanedioic acid Traditional Name: 2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]succinic acid Formula: C14H14ClN5O6S MolecularWeight: 415.80886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN5O6S/c15-9-5-18-12(19-14(16)17)8-3-6(1-2-7(8)9)27(25,26)20-10(13(23)24)4-11(21)22/h1-3,5,10,20H,4H2,(H,21,22)(H,23,24)(H4,16,17,18,19)