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

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-isoquinolylsulfonyl(propyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[5-isoquinolinylsulfonyl(propyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-isoquinolylsulfonyl(propyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-3-14-26(32(29,30)21-7-5-6-18-15-24-13-12-20(18)21)16-22(27)25-19-10-8-17(9-11-19)23(28)31-4-2/h5-13,15H,3-4,14,16H2,1-2H3,(H,25,27)