methyl 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

Systemtic Name: methyl 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Openeye Name: methyl 3-[5-(1-piperidylsulfonyl)indolin-1-yl]sulfonylbenzoate CAS Name: 3-[[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate Traditional Name: 3-(5-piperidinosulfonylindolin-1-yl)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)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H24N2O6S2/c1-29-21(24)17-6-5-7-18(15-17)31(27,28)23-13-10-16-14-19(8-9-20(16)23)30(25,26)22-11-3-2-4-12-22/h5-9,14-15H,2-4,10-13H2,1H3