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

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: [4-(2-methoxyphenyl)piperazino]-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H27N3O4S2/c1-32-23-10-5-4-9-21(23)26-12-14-27(15-13-26)25(29)22-17-19-7-2-3-8-20(19)18-28(22)34(30,31)24-11-6-16-33-24/h2-11,16,22H,12-15,17-18H2,1H3