2-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-8-ethoxy-quinoline-5-sulfonamide

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-8-ethoxy-quinoline-5-sulfonamide Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-8-ethoxy-quinoline-5-sulfonamide CAS Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-8-ethoxy-5-quinolinesulfonamide IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]-8-ethoxyquinoline-5-sulfonamide Traditional Name: 8-ethoxy-2-[2-(veratrylamino)ethyl]quinoline-5-sulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(C=C1)S(=O)(=O)N)C=CC(=N2)CCNCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)N)C=CC(=N2)CCNCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O5S/c1-4-30-19-9-10-21(31(23,26)27)17-7-6-16(25-22(17)19)11-12-24-14-15-5-8-18(28-2)20(13-15)29-3/h5-10,13,24H,4,11-12,14H2,1-3H3,(H2,23,26,27)