2-azanyl-3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 2-azanyl-3-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 2-amino-3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-4-methoxy-benzoic acid CAS Name: 2-amino-3-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 2-amino-3-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 2-amino-3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]-4-methoxy-benzoic acid Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)O)N)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)O)N)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C18H16ClN5O5S/c1-29-13-5-4-10(17(25)26)14(20)15(13)30(27,28)8-2-3-9-11(6-8)16(24-18(21)22)23-7-12(9)19/h2-7H,20H2,1H3,(H,25,26)(H4,21,22,23,24)