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

Systemtic Name: methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-(4-indan-5-ylsulfonylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-(4-indan-5-ylsulfonylpiperazino)sulfonylbenzoic acid methyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H24N2O6S2/c1-29-21(24)18-6-3-7-19(15-18)30(25,26)22-10-12-23(13-11-22)31(27,28)20-9-8-16-4-2-5-17(16)14-20/h3,6-9,14-15H,2,4-5,10-13H2,1H3