[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(2-oxolanylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(tetrahydrofurfuryl)piperazino]methanone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(OC1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H31N3O4S/c29-25(27-14-12-26(13-15-27)19-23-8-4-16-32-23)21-7-3-9-24(17-21)33(30,31)28-11-10-20-5-1-2-6-22(20)18-28/h1-3,5-7,9,17,23H,4,8,10-16,18-19H2