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

Systemtic Name: [1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl 2-azanylbenzoate Openeye Name: (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl 2-aminobenzoate CAS Name: 2-aminobenzoic acid [4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl ester IUPAC Name: [4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl 2-aminobenzoate Traditional Name: 2-aminobenzoic acid (4-chloro-1-guanidino-7-isoquinolyl)sulfonyl ester Formula: C17H14ClN5O4S MolecularWeight: 419.84216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O4S/c18-13-8-22-15(23-17(20)21)12-7-9(5-6-10(12)13)28(25,26)27-16(24)11-3-1-2-4-14(11)19/h1-8H,19H2,(H4,20,21,22,23)