1-isoquinolin-5-ylsulfonyl-N'-(3-phenylpropyl)propane-1,3-diamine

Systemtic Name: 1-isoquinolin-5-ylsulfonyl-N'-(3-phenylpropyl)propane-1,3-diamine Openeye Name: 1-(5-isoquinolylsulfonyl)-N'-(3-phenylpropyl)propane-1,3-diamine CAS Name: 1-(5-isoquinolinylsulfonyl)-N'-(3-phenylpropyl)propane-1,3-diamine IUPAC Name: 1-isoquinolin-5-ylsulfonyl-N'-(3-phenylpropyl)propane-1,3-diamine Traditional Name: [3-amino-3-(5-isoquinolylsulfonyl)propyl]-(3-phenylpropyl)amine Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c22-21(12-15-23-13-5-8-17-6-2-1-3-7-17)27(25,26)20-10-4-9-18-16-24-14-11-19(18)20/h1-4,6-7,9-11,14,16,21,23H,5,8,12-13,15,22H2