(phenylmethyl) N-[2-(isoquinolin-5-ylsulfonylamino)propyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(isoquinolin-5-ylsulfonylamino)propyl]carbamate Openeye Name: benzyl N-[2-(5-isoquinolylsulfonylamino)propyl]carbamate CAS Name: N-[2-(5-isoquinolinylsulfonylamino)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(isoquinolin-5-ylsulfonylamino)propyl]carbamate Traditional Name: N-[2-(5-isoquinolylsulfonylamino)propyl]carbamic acid benzyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(CNC(=O)OCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21N3O4S/c1-15(12-22-20(24)27-14-16-6-3-2-4-7-16)23-28(25,26)19-9-5-8-17-13-21-11-10-18(17)19/h2-11,13,15,23H,12,14H2,1H3,(H,22,24)