N-(3,4-dimethoxyphenyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[5-isoquinolinylsulfonyl(propyl)amino]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)NC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H25N3O5S/c1-4-12-25(15-22(26)24-17-8-9-19(29-2)20(13-17)30-3)31(27,28)21-7-5-6-16-14-23-11-10-18(16)21/h5-11,13-14H,4,12,15H2,1-3H3,(H,24,26)