N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(veratrylamino)ethyl]isoquinoline-5-sulfonamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)OC

InChI

InChI=1S/C20H23N3O4S/c1-26-18-7-6-15(12-19(18)27-2)13-22-10-11-23-28(24,25)20-5-3-4-16-14-21-9-8-17(16)20/h3-9,12,14,22-23H,10-11,13H2,1-2H3