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

Systemtic Name: ethyl 4-[3-(5-bromanyl-1-methylsulfonyl-2,3-dihydroindol-3-yl)propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(5-bromo-1-methylsulfonyl-indolin-3-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-bromo-1-methylsulfonyl-2,3-dihydroindol-3-yl)-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-bromo-1-methylsulfonyl-2,3-dihydroindol-3-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-bromo-1-mesyl-indolin-3-yl)propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26BrN3O5S MolecularWeight: 488.39584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCC2CN(C3=C2C=C(C=C3)Br)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCC2CN(C3=C2C=C(C=C3)Br)S(=O)(=O)C

InChI

InChI=1S/C19H26BrN3O5S/c1-3-28-19(25)22-10-8-21(9-11-22)18(24)7-4-14-13-23(29(2,26)27)17-6-5-15(20)12-16(14)17/h5-6,12,14H,3-4,7-11,13H2,1-2H3