5-[2-azanyl-3-(phenylmethyl)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-[2-azanyl-3-(phenylmethyl)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[(2-amino-3-benzyl-1-piperidyl)sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[[2-amino-3-(phenylmethyl)-1-piperidinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(2-amino-3-benzylpiperidin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(2-amino-3-benzyl-piperidino)sulfonylisocarbostyril Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c22-20-16(14-15-6-2-1-3-7-15)8-5-13-24(20)28(26,27)19-10-4-9-18-17(19)11-12-23-21(18)25/h1-4,6-7,9-12,16,20H,5,8,13-14,22H2,(H,23,25)