ethyl 4-[3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(5-bromanyl-1-ethanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(1-acetyl-5-bromo-indolin-7-yl)sulfonylpropanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(1-acetyl-5-bromo-indolin-7-yl)sulfonylpropanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28BrN3O6S MolecularWeight: 530.43252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCS(=O)(=O)C2=C3C(=CC(=C2)Br)CCN3C(=O)C

InChI

InChI=1S/C21H28BrN3O6S/c1-3-31-21(28)24-8-5-17(6-9-24)23-19(27)7-11-32(29,30)18-13-16(22)12-15-4-10-25(14(2)26)20(15)18/h12-13,17H,3-11H2,1-2H3,(H,23,27)