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

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(3-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(3-methoxyphenyl)piperazino]methanone Formula: C27H29N3O4S MolecularWeight: 491.60186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29N3O4S/c1-34-25-10-5-9-24(19-25)28-14-16-29(17-15-28)27(31)22-8-4-11-26(18-22)35(32,33)30-13-12-21-6-2-3-7-23(21)20-30/h2-11,18-19H,12-17,20H2,1H3