2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-benzyl-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COCCN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O4S/c1-28-13-12-24(16-21(25)23-14-17-6-3-2-4-7-17)29(26,27)20-9-5-8-18-15-22-11-10-19(18)20/h2-11,15H,12-14,16H2,1H3,(H,23,25)