[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H19ClN2O6S MolecularWeight: 462.90336

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H19ClN2O6S/c22-17-6-5-14(11-20(17)31(27,28)24-7-9-29-10-8-24)21(26)30-13-19(25)16-12-23-18-4-2-1-3-15(16)18/h1-6,11-12,23H,7-10,13H2