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

Systemtic Name: methyl 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate Openeye Name: methyl 3-[[5-(1-piperidylsulfonyl)indolin-1-yl]methyl]benzoate CAS Name: 3-[[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]benzoate Traditional Name: 3-[(5-piperidinosulfonylindolin-1-yl)methyl]benzoic acid methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

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