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

Systemtic Name: 4-[2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[5-isoquinolylsulfonyl(propyl)amino]acetyl]amino]benzamide CAS Name: 4-[[2-[5-isoquinolinylsulfonyl(propyl)amino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetyl]amino]benzamide Traditional Name: 4-[[2-[5-isoquinolylsulfonyl(propyl)amino]acetyl]amino]benzamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c1-2-12-25(14-20(26)24-17-8-6-15(7-9-17)21(22)27)30(28,29)19-5-3-4-16-13-23-11-10-18(16)19/h3-11,13H,2,12,14H2,1H3,(H2,22,27)(H,24,26)