methyl 3-(isoquinolin-5-ylsulfonylamino)-4-methyl-benzoate

Systemtic Name: methyl 3-(isoquinolin-5-ylsulfonylamino)-4-methyl-benzoate Openeye Name: methyl 3-(5-isoquinolylsulfonylamino)-4-methyl-benzoate CAS Name: 3-(5-isoquinolinylsulfonylamino)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(isoquinolin-5-ylsulfonylamino)-4-methylbenzoate Traditional Name: 3-(5-isoquinolylsulfonylamino)-4-methyl-benzoic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H16N2O4S/c1-12-6-7-13(18(21)24-2)10-16(12)20-25(22,23)17-5-3-4-14-11-19-9-8-15(14)17/h3-11,20H,1-2H3