2-[4-(isoquinolin-5-ylsulfonylamino)-2-phenyl-butyl]guanidine

Systemtic Name: 2-[4-(isoquinolin-5-ylsulfonylamino)-2-phenyl-butyl]guanidine Openeye Name: 2-[4-(5-isoquinolylsulfonylamino)-2-phenyl-butyl]guanidine CAS Name: 2-[4-(5-isoquinolinylsulfonylamino)-2-phenylbutyl]guanidine IUPAC Name: 2-[4-(isoquinolin-5-ylsulfonylamino)-2-phenylbutyl]guanidine Traditional Name: 2-[4-(5-isoquinolylsulfonylamino)-2-phenyl-butyl]guanidine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)CN=C(N)N

InChI

InChI=1S/C20H23N5O2S/c21-20(22)24-14-16(15-5-2-1-3-6-15)9-12-25-28(26,27)19-8-4-7-17-13-23-11-10-18(17)19/h1-8,10-11,13,16,25H,9,12,14H2,(H4,21,22,24)