tert-butyl 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C19H24ClN5O4S MolecularWeight: 453.94296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C19H24ClN5O4S/c1-19(2,3)29-17(26)15-5-4-8-25(15)30(27,28)11-6-7-12-13(9-11)16(24-18(21)22)23-10-14(12)20/h6-7,9-10,15H,4-5,8H2,1-3H3,(H4,21,22,23,24)