methyl 4-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-1-methyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylamino]-1-methyl-piperidine-4-carboxylate Openeye Name: methyl 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-1-methyl-piperidine-4-carboxylate CAS Name: 4-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonylamino]-1-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylamino]-1-methylpiperidine-4-carboxylate Traditional Name: 4-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonylamino]-1-methyl-isonipecotic acid methyl ester Formula: C18H23ClN6O4S MolecularWeight: 454.93102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

CN1CCC(CC1)(C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C18H23ClN6O4S/c1-25-7-5-18(6-8-25,16(26)29-2)24-30(27,28)11-3-4-12-13(9-11)15(23-17(20)21)22-10-14(12)19/h3-4,9-10,24H,5-8H2,1-2H3,(H4,20,21,22,23)