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

Systemtic Name: methyl 4-[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[5-isoquinolinylsulfonyl(2-methoxyethyl)amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[isoquinolin-5-ylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[5-isoquinolylsulfonyl(2-methoxyethyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-30-13-12-25(15-21(26)24-18-8-6-16(7-9-18)22(27)31-2)32(28,29)20-5-3-4-17-14-23-11-10-19(17)20/h3-11,14H,12-13,15H2,1-2H3,(H,24,26)