3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)-N-(3-piperidinosulfonylphenyl)propionamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S/c27-21(11-14-26-22(28)15-17-7-2-3-10-20(17)23(26)29)24-18-8-6-9-19(16-18)32(30,31)25-12-4-1-5-13-25/h2-3,6-10,16H,1,4-5,11-15H2,(H,24,27)