1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(1-piperidylsulfonyl)anilino]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(1-piperidinylsulfonyl)anilino]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-piperidin-1-ylsulfonylanilino)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-piperidinosulfonylanilino)ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O3S/c26-22(24-14-11-18-7-2-3-8-19(18)17-24)16-23-20-9-6-10-21(15-20)29(27,28)25-12-4-1-5-13-25/h2-3,6-10,15,23H,1,4-5,11-14,16-17H2