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

Systemtic Name: 2-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-phenyl-amino]ethanoic acid Openeye Name: 2-[N-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]anilino]acetic acid CAS Name: 2-[N-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]anilino]acetic acid IUPAC Name: 2-(N-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylanilino)acetic acid Traditional Name: 2-[N-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]anilino]acetic acid Formula: C18H16ClN5O4S MolecularWeight: 433.86874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O4S/c19-15-9-22-17(23-18(20)21)14-8-12(6-7-13(14)15)29(27,28)24(10-16(25)26)11-4-2-1-3-5-11/h1-9H,10H2,(H,25,26)(H4,20,21,22,23)