4-isoquinolin-5-ylsulfonyl-3-(2-methylpropyl)piperazine-1-carboximidamide

Systemtic Name: 4-isoquinolin-5-ylsulfonyl-3-(2-methylpropyl)piperazine-1-carboximidamide Openeye Name: 3-isobutyl-4-(5-isoquinolylsulfonyl)piperazine-1-carboxamidine CAS Name: 4-(5-isoquinolinylsulfonyl)-3-(2-methylpropyl)-1-piperazinecarboximidamide IUPAC Name: 4-isoquinolin-5-ylsulfonyl-3-(2-methylpropyl)piperazine-1-carboximidamide Traditional Name: 3-isobutyl-4-(5-isoquinolylsulfonyl)piperazine-1-carboxamidine Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=N)N

Isomeric SMILES

CC(C)CC1CN(CCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C(=N)N

InChI

InChI=1S/C18H25N5O2S/c1-13(2)10-15-12-22(18(19)20)8-9-23(15)26(24,25)17-5-3-4-14-11-21-7-6-16(14)17/h3-7,11,13,15H,8-10,12H2,1-2H3,(H3,19,20)