1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylmethyl)sulfonyl-butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylmethyl)sulfonyl-butan-1-one Openeye Name: 4-benzylsulfonyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylmethyl)sulfonyl-1-butanone IUPAC Name: 4-benzylsulfonyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-benzylsulfonyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c22-20(21-13-12-18-9-4-5-10-19(18)15-21)11-6-14-25(23,24)16-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2