1-[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonyl-N-(2-dimethylaminoethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-[4-[carbamimidoyl(chloranyl)amino]isoquinolin-7-yl]sulfonyl-N-(2-dimethylaminoethyl)pyrrolidine-2-carboxamide Openeye Name: 1-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolyl]sulfonyl]-N-(2-dimethylaminoethyl)pyrrolidine-2-carboxamide CAS Name: 1-[[4-[carbamimidoyl(chloro)amino]-7-isoquinolinyl]sulfonyl]-N-(2-dimethylaminoethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[4-[carbamimidoyl(chloro)amino]isoquinolin-7-yl]sulfonyl-N-(2-dimethylaminoethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[[4-[amidino(chloro)amino]-7-isoquinolyl]sulfonyl]-N-(2-dimethylaminoethyl)pyrrolidine-2-carboxamide Formula: C19H26ClN7O3S MolecularWeight: 467.97284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1CCCN1S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

Isomeric SMILES

CN(C)CCNC(=O)C1CCCN1S(=O)(=O)C2=CC3=CN=CC(=C3C=C2)N(C(=N)N)Cl

InChI

InChI=1S/C19H26ClN7O3S/c1-25(2)9-7-24-18(28)16-4-3-8-26(16)31(29,30)14-5-6-15-13(10-14)11-23-12-17(15)27(20)19(21)22/h5-6,10-12,16H,3-4,7-9H2,1-2H3,(H3,21,22)(H,24,28)