2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonyl-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonyl-phenyl-amino]ethanoic acid Openeye Name: 2-[N-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonyl]anilino]acetic acid CAS Name: 2-[N-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonyl]anilino]acetic acid IUPAC Name: 2-(N-[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonylanilino)acetic acid Traditional Name: 2-[N-[[4-[amidino(chloro)amino]-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=CN=CC(=C3C=C2)N(C(=N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

InChI

InChI=1S/C18H16ClN5O4S/c19-24(18(20)21)16-10-22-9-12-8-14(6-7-15(12)16)29(27,28)23(11-17(25)26)13-4-2-1-3-5-13/h1-10H,11H2,(H3,20,21)(H,25,26)