ethyl 3-[isoquinolin-5-ylsulfonyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[isoquinolin-5-ylsulfonyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(5-isoquinolylsulfonyl)amino]propanoate CAS Name: 3-[5-isoquinolinylsulfonyl-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(isoquinolin-5-ylsulfonyl)amino]propanoate Traditional Name: 3-[benzyl(5-isoquinolylsulfonyl)amino]propionic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(24)12-14-23(16-17-7-4-3-5-8-17)28(25,26)20-10-6-9-18-15-22-13-11-19(18)20/h3-11,13,15H,2,12,14,16H2,1H3