5-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[[4-(benzylamino)-1-piperidyl]sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[[4-[(phenylmethyl)amino]-1-piperidinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-[4-(benzylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-[4-(benzylamino)piperidino]sulfonylisocarbostyril Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CNC4=O

Isomeric SMILES

C1CN(CCC1NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CNC4=O

InChI

InChI=1S/C21H23N3O3S/c25-21-19-7-4-8-20(18(19)9-12-22-21)28(26,27)24-13-10-17(11-14-24)23-15-16-5-2-1-3-6-16/h1-9,12,17,23H,10-11,13-15H2,(H,22,25)