methyl 3-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-4-methoxy-benzoate

Systemtic Name: methyl 3-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-4-methoxy-benzoate Openeye Name: methyl 3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-4-methoxy-benzoate CAS Name: 3-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-4-methoxybenzoate Traditional Name: 3-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-4-methoxy-benzoic acid methyl ester Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O5S/c1-29-16-6-3-10(18(26)30-2)7-15(16)25-31(27,28)11-4-5-12-13(8-11)17(24-19(21)22)23-9-14(12)20/h3-9,25H,1-2H3,(H4,21,22,23,24)