N-(2-azanylethyl)-N-(phenylmethyl)isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-N-(phenylmethyl)isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-benzyl-isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-(phenylmethyl)-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-N-benzylisoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-benzyl-isoquinoline-5-sulfonamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c19-10-12-21(14-15-5-2-1-3-6-15)24(22,23)18-8-4-7-16-13-20-11-9-17(16)18/h1-9,11,13H,10,12,14,19H2