N-[4-(aminomethyl)-5-phenyl-pentyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[4-(aminomethyl)-5-phenyl-pentyl]isoquinoline-5-sulfonamide Openeye Name: N-[4-(aminomethyl)-5-phenyl-pentyl]isoquinoline-5-sulfonamide CAS Name: N-[4-(aminomethyl)-5-phenylpentyl]-5-isoquinolinesulfonamide IUPAC Name: N-[4-(aminomethyl)-5-phenylpentyl]isoquinoline-5-sulfonamide Traditional Name: N-[4-(aminomethyl)-5-phenyl-pentyl]isoquinoline-5-sulfonamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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