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

Systemtic Name: N-(2-azanylethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-(3-phenylpropyl)-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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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=C3

Isomeric SMILES

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

InChI

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