1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one

Systemtic Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]-2-phenoxy-propan-1-one Formula: C29H33N3O5S MolecularWeight: 535.65442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC)OC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O5S/c1-22(37-25-10-4-3-5-11-25)29(33)31-18-16-30(17-19-31)27-20-26(12-13-28(27)36-2)38(34,35)32-15-14-23-8-6-7-9-24(23)21-32/h3-13,20,22H,14-19,21H2,1-2H3