[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C22H26N2O5S/c1-3-18(4-2)23-21(25)15-29-22(26)17-9-7-10-19(14-17)30(27,28)24-13-12-16-8-5-6-11-20(16)24/h5-11,14,18H,3-4,12-13,15H2,1-2H3,(H,23,25)