N-(2-azanylethyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-N-[2-(phenylsulfonyl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-N-[2-(benzenesulfonyl)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-N-(2-besylethyl)isoquinoline-5-sulfonamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c20-10-12-22(13-14-27(23,24)17-6-2-1-3-7-17)28(25,26)19-8-4-5-16-15-21-11-9-18(16)19/h1-9,11,15H,10,12-14,20H2