1-azanyl-N-(2-azanylethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide

Systemtic Name: 1-azanyl-N-(2-azanylethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Openeye Name: 1-amino-N-(2-aminoethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide CAS Name: 1-amino-N-(2-aminoethyl)-N-(3-phenylpropyl)-5-isoquinolinesulfonamide IUPAC Name: 1-amino-N-(2-aminoethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Traditional Name: 1-amino-N-(2-aminoethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3N

InChI

InChI=1S/C20H24N4O2S/c21-12-15-24(14-5-8-16-6-2-1-3-7-16)27(25,26)19-10-4-9-18-17(19)11-13-23-20(18)22/h1-4,6-7,9-11,13H,5,8,12,14-15,21H2,(H2,22,23)