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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5S/c30-25(28-27-14-18-10-19(15-27)12-20(11-18)16-27)17-34-26(31)22-5-3-6-23(13-22)35(32,33)29-9-8-21-4-1-2-7-24(21)29/h1-7,13,18-20H,8-12,14-17H2,(H,28,30)