1-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Openeye Name: 1-(5-isoquinolylsulfonyl)-N-(3-phenylpropyl)ethane-1,2-diamine CAS Name: 1-(5-isoquinolinylsulfonyl)-N-(3-phenylpropyl)ethane-1,2-diamine IUPAC Name: 1-isoquinolin-5-ylsulfonyl-N-(3-phenylpropyl)ethane-1,2-diamine Traditional Name: [2-amino-1-(5-isoquinolylsulfonyl)ethyl]-(3-phenylpropyl)amine Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(CN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(CN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H23N3O2S/c21-14-20(23-12-5-8-16-6-2-1-3-7-16)26(24,25)19-10-4-9-17-15-22-13-11-18(17)19/h1-4,6-7,9-11,13,15,20,23H,5,8,12,14,21H2