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

Systemtic Name: 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[5-isoquinolylsulfonyl(methyl)amino]acetyl]amino]benzamide CAS Name: 4-[[2-[5-isoquinolinylsulfonyl(methyl)amino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetyl]amino]benzamide Traditional Name: 4-[[2-[5-isoquinolylsulfonyl(methyl)amino]acetyl]amino]benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-23(12-18(24)22-15-7-5-13(6-8-15)19(20)25)28(26,27)17-4-2-3-14-11-21-10-9-16(14)17/h2-11H,12H2,1H3,(H2,20,25)(H,22,24)