N-[(4-fluorophenyl)methyl]-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetamide Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O4S/c1-29-12-11-25(15-21(26)24-13-16-5-7-18(22)8-6-16)30(27,28)20-4-2-3-17-14-23-10-9-19(17)20/h2-10,14H,11-13,15H2,1H3,(H,24,26)