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

Systemtic Name: ethyl 4-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-isoquinolylsulfonyl(methyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[5-isoquinolinylsulfonyl(methyl)amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-isoquinolylsulfonyl(methyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H21N3O5S/c1-3-29-21(26)15-7-9-17(10-8-15)23-20(25)14-24(2)30(27,28)19-6-4-5-16-13-22-12-11-18(16)19/h4-13H,3,14H2,1-2H3,(H,23,25)