[4-(4-ethanoylpiperazin-1-yl)phenyl] 5,6,7,8-tetrahydronaphthalene-2-sulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 5,6,7,8-tetrahydronaphthalene-2-sulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] tetralin-6-sulfonate CAS Name: 5,6,7,8-tetrahydronaphthalene-2-sulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 5,6,7,8-tetrahydronaphthalene-2-sulfonate Traditional Name: tetralin-6-sulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H26N2O4S/c1-17(25)23-12-14-24(15-13-23)20-7-9-21(10-8-20)28-29(26,27)22-11-6-18-4-2-3-5-19(18)16-22/h6-11,16H,2-5,12-15H2,1H3