methyl 4-[2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-[2-oxo-2-(1-piperidyl)ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-3-indolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-keto-2-piperidino-ethyl)indol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

InChI

InChI=1S/C25H27N3O4S/c1-32-25(31)18-9-11-19(12-10-18)26-23(29)17-33-22-15-28(21-8-4-3-7-20(21)22)16-24(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16-17H2,1H3,(H,26,29)