[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-chloro-3-indolin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-indolin-1-ylsulfonyl-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H29ClN2O5S MolecularWeight: 529.04756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NC45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C27H29ClN2O5S/c28-22-6-5-21(12-24(22)36(33,34)30-8-7-20-3-1-2-4-23(20)30)26(32)35-16-25(31)29-27-13-17-9-18(14-27)11-19(10-17)15-27/h1-6,12,17-19H,7-11,13-16H2,(H,29,31)