3-cyanopropyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: 3-cyanopropyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: 3-cyanopropyl 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid 3-cyanopropyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCCCC#N

InChI

InChI=1S/C20H20N2O5S/c1-26-19-9-8-16(14-17(19)20(23)27-13-5-4-11-21)28(24,25)22-12-10-15-6-2-3-7-18(15)22/h2-3,6-9,14H,4-5,10,12-13H2,1H3