methyl 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]benzoate CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[(4-indan-5-ylsulfonylpiperazino)methyl]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H26N2O4S/c1-28-22(25)19-7-5-17(6-8-19)16-23-11-13-24(14-12-23)29(26,27)21-10-9-18-3-2-4-20(18)15-21/h5-10,15H,2-4,11-14,16H2,1H3