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

Systemtic Name: 1-[1-[bis(azanyl)methylideneamino]-4-chloranyl-isoquinolin-7-yl]sulfonylpiperidine-2-carboxylate Openeye Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]piperidine-2-carboxylate CAS Name: 1-[[4-chloro-1-(diaminomethylideneamino)-7-isoquinolinyl]sulfonyl]-2-piperidinecarboxylate IUPAC Name: 1-[4-chloro-1-(diaminomethylideneamino)isoquinolin-7-yl]sulfonylpiperidine-2-carboxylate Traditional Name: 1-[(4-chloro-1-guanidino-7-isoquinolyl)sulfonyl]pipecolinate Formula: C16H17ClN5O4S- MolecularWeight: 410.85528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)[O-])S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C16H18ClN5O4S/c17-12-8-20-14(21-16(18)19)11-7-9(4-5-10(11)12)27(25,26)22-6-2-1-3-13(22)15(23)24/h4-5,7-8,13H,1-3,6H2,(H,23,24)(H4,18,19,20,21)/p-1