2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl(propyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide CAS Name: 2-[5-isoquinolinylsulfonyl(propyl)amino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[isoquinolin-5-ylsulfonyl(propyl)amino]acetamide Traditional Name: N-benzyl-2-[5-isoquinolylsulfonyl(propyl)amino]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCCN(CC(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O3S/c1-2-13-24(16-21(25)23-14-17-7-4-3-5-8-17)28(26,27)20-10-6-9-18-15-22-12-11-19(18)20/h3-12,15H,2,13-14,16H2,1H3,(H,23,25)