ethyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-methyl-amino]cyclopentane-1-carboxylate

Systemtic Name: ethyl 1-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonyl-methyl-amino]cyclopentane-1-carboxylate Openeye Name: ethyl 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl-methyl-amino]cyclopentanecarboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl-methylamino]-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonyl-methylamino]cyclopentane-1-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl-methyl-amino]cyclopentanecarboxylic acid ethyl ester Formula: C19H24ClN5O4S MolecularWeight: 453.94296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC1)N(C)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CCOC(=O)C1(CCCC1)N(C)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

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