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

Systemtic Name: 2-azanyl-2-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-ethanoic acid Openeye Name: 2-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]acetic acid CAS Name: 2-amino-2-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]acetic acid IUPAC Name: 2-amino-2-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylacetic acid Traditional Name: 2-amino-2-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]acetic acid Formula: C12H12ClN5O4S MolecularWeight: 357.77278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN5O4S/c13-8-4-17-10(18-12(15)16)7-3-5(1-2-6(7)8)23(21,22)9(14)11(19)20/h1-4,9H,14H2,(H,19,20)(H4,15,16,17,18)