tert-butyl 2-[[2-[3-[(1-azanyl-3-ethoxy-3-oxidanylidene-propyl)sulfamoyl]phenyl]carbonyl-1H-indol-4-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-[3-[(1-azanyl-3-ethoxy-3-oxidanylidene-propyl)sulfamoyl]phenyl]carbonyl-1H-indol-4-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-[3-[(1-amino-3-ethoxy-3-oxo-propyl)sulfamoyl]benzoyl]-1H-indol-4-yl]oxymethyl]piperidine-1-carboxylate CAS Name: 2-[[2-[[3-[(1-amino-3-ethoxy-3-oxopropyl)sulfamoyl]phenyl]-oxomethyl]-1H-indol-4-yl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[3-[(1-amino-3-ethoxy-3-oxopropyl)sulfamoyl]benzoyl]-1H-indol-4-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 2-[[2-[3-[(1-amino-3-ethoxy-3-keto-propyl)sulfamoyl]benzoyl]-1H-indol-4-yl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H40N4O8S MolecularWeight: 628.7363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(N)NS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC3=C(N2)C=CC=C3OCC4CCCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(N)NS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC3=C(N2)C=CC=C3OCC4CCCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C31H40N4O8S/c1-5-41-28(36)18-27(32)34-44(39,40)22-12-8-10-20(16-22)29(37)25-17-23-24(33-25)13-9-14-26(23)42-19-21-11-6-7-15-35(21)30(38)43-31(2,3)4/h8-10,12-14,16-17,21,27,33-34H,5-7,11,15,18-19,32H2,1-4H3