ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(1-propanoylindolin-5-yl)sulfonylpropanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]sulfonyl]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-propionylindolin-5-yl)sulfonylpropanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N3O6S/c1-3-19(25)24-9-7-16-15-17(5-6-18(16)24)31(28,29)14-8-20(26)22-10-12-23(13-11-22)21(27)30-4-2/h5-6,15H,3-4,7-14H2,1-2H3