methanesulfonic acid; 4'-(4-phenylpiperazin-1-yl)spiro[2H-indene-3,1'-cyclohexane]-1-one

Systemtic Name: methanesulfonic acid; 4'-(4-phenylpiperazin-1-yl)spiro[2H-indene-3,1'-cyclohexane]-1-one Openeye Name: methanesulfonic acid; 4-(4-phenylpiperazin-1-yl)spiro[cyclohexane-1,3'-indane]-1'-one CAS Name: methanesulfonic acid; 4'-(4-phenyl-1-piperazinyl)-1-spiro[2H-indene-3,1'-cyclohexane]one IUPAC Name: methanesulfonic acid; 4'-(4-phenylpiperazin-1-yl)spiro[2H-indene-3,1'-cyclohexane]-1-one Traditional Name: mesylic acid; 4-(4-phenylpiperazino)spiro[cyclohexane-1,3'-indane]-1'-one Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CC2(CCC1N3CCN(CC3)C4=CC=CC=C4)CC(=O)C5=CC=CC=C25

Isomeric SMILES

CS(=O)(=O)O.C1CC2(CCC1N3CCN(CC3)C4=CC=CC=C4)CC(=O)C5=CC=CC=C25

InChI

InChI=1S/C24H28N2O.CH4O3S/c27-23-18-24(22-9-5-4-8-21(22)23)12-10-20(11-13-24)26-16-14-25(15-17-26)19-6-2-1-3-7-19;1-5(2,3)4/h1-9,20H,10-18H2;1H3,(H,2,3,4)