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

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: (4-o-phenetylpiperazino)-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H29N3O4S2/c1-2-33-24-11-6-5-10-22(24)27-13-15-28(16-14-27)26(30)23-18-20-8-3-4-9-21(20)19-29(23)35(31,32)25-12-7-17-34-25/h3-12,17,23H,2,13-16,18-19H2,1H3