ethyl 4-[[1-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidin-3-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidin-3-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(5-bromo-1-propanoyl-indolin-7-yl)sulfonylpiperidine-3-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl]-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(5-bromo-1-propionyl-indolin-7-yl)sulfonylnipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C25H35BrN4O6S MolecularWeight: 599.5376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCN(CC4)C(=O)OCC)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)N3CCCC(C3)C(=O)NC4CCN(CC4)C(=O)OCC)Br

InChI

InChI=1S/C25H35BrN4O6S/c1-3-22(31)30-13-7-17-14-19(26)15-21(23(17)30)37(34,35)29-10-5-6-18(16-29)24(32)27-20-8-11-28(12-9-20)25(33)36-4-2/h14-15,18,20H,3-13,16H2,1-2H3,(H,27,32)