tert-butyl 4-[[3-bromanyl-2-[[(2S)-3-ethoxy-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]-1H-indol-5-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-bromanyl-2-[[(2S)-3-ethoxy-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]-1H-indol-5-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-oxo-propyl]carbamoyl]-3-bromo-1H-indol-5-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 4-[[2-[[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-oxopropyl]amino]-oxomethyl]-3-bromo-1H-indol-5-yl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-oxopropyl]carbamoyl]-3-bromo-1H-indol-5-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[[(2S)-2-(benzenesulfonamido)-3-ethoxy-3-keto-propyl]carbamoyl]-3-bromo-1H-indol-5-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H39BrN4O8S MolecularWeight: 707.63236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1=C(C2=C(N1)C=CC(=C2)OCC3CCN(CC3)C(=O)OC(C)(C)C)Br)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CNC(=O)C1=C(C2=C(N1)C=CC(=C2)OCC3CCN(CC3)C(=O)OC(C)(C)C)Br)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H39BrN4O8S/c1-5-42-29(38)25(35-45(40,41)22-9-7-6-8-10-22)18-33-28(37)27-26(32)23-17-21(11-12-24(23)34-27)43-19-20-13-15-36(16-14-20)30(39)44-31(2,3)4/h6-12,17,20,25,34-35H,5,13-16,18-19H2,1-4H3,(H,33,37)/t25-/m0/s1