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

Systemtic Name: 6-chloranyl-1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]hexan-1-one Openeye Name: 6-chloro-1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazin-1-yl]hexan-1-one CAS Name: 6-chloro-1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-piperazinyl]-1-hexanone IUPAC Name: 6-chloro-1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]piperazin-1-yl]hexan-1-one Traditional Name: 6-chloro-1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]piperazino]hexan-1-one Formula: C26H34ClN3O4S MolecularWeight: 520.08386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)CCCCCCl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)N4CCN(CC4)C(=O)CCCCCCl

InChI

InChI=1S/C26H34ClN3O4S/c1-34-25-11-10-23(35(32,33)30-14-12-21-7-4-5-8-22(21)20-30)19-24(25)28-15-17-29(18-16-28)26(31)9-3-2-6-13-27/h4-5,7-8,10-11,19H,2-3,6,9,12-18,20H2,1H3