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

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: (4-o-phenetylpiperazino)-(2-p-phenetylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C5=CC=CC=C5OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCN(CC4)C5=CC=CC=C5OCC

InChI

InChI=1S/C30H35N3O5S/c1-3-37-25-13-15-26(16-14-25)39(35,36)33-22-24-10-6-5-9-23(24)21-28(33)30(34)32-19-17-31(18-20-32)27-11-7-8-12-29(27)38-4-2/h5-16,28H,3-4,17-22H2,1-2H3