[2-(butylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C32)OC

InChI

InChI=1S/C22H26N2O6S/c1-3-4-12-23-21(25)15-30-22(26)18-14-17(9-10-20(18)29-2)31(27,28)24-13-11-16-7-5-6-8-19(16)24/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,23,25)