[4-(4-ethanoylpiperazin-1-yl)phenyl] 2,3-dihydro-1H-indene-5-sulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2,3-dihydro-1H-indene-5-sulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] indane-5-sulfonate CAS Name: 2,3-dihydro-1H-indene-5-sulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2,3-dihydro-1H-indene-5-sulfonate Traditional Name: indane-5-sulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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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(CCC4)C=C3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H24N2O4S/c1-16(24)22-11-13-23(14-12-22)19-6-8-20(9-7-19)27-28(25,26)21-10-5-17-3-2-4-18(17)15-21/h5-10,15H,2-4,11-14H2,1H3