4-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoylamino]benzamide

Systemtic Name: 4-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzamide CAS Name: 4-[[2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzamide Traditional Name: 4-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)NC1=CC=C(C=C1)C(=O)N)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COCCN(CC(=O)NC1=CC=C(C=C1)C(=O)N)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H22N4O5S/c1-30-12-11-25(14-20(26)24-17-7-5-15(6-8-17)21(22)27)31(28,29)19-4-2-3-16-13-23-10-9-18(16)19/h2-10,13H,11-12,14H2,1H3,(H2,22,27)(H,24,26)