(phenylmethyl) 4-[(4-methyl-1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-methyl-1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(1-keto-4-methyl-2H-isoquinolin-5-yl)sulfonyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c1-17-15-24-22(27)19-9-5-10-20(21(17)19)32(29,30)26-12-6-11-25(13-14-26)23(28)31-16-18-7-3-2-4-8-18/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,24,27)