ethyl 4-[4-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-4-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]butyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-phenyl-2-(phenylthio)acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4S/c1-2-33-26(32)29-18-15-21(16-19-29)28-23(30)14-9-17-27-25(31)24(20-10-5-3-6-11-20)34-22-12-7-4-8-13-22/h3-8,10-13,21,24H,2,9,14-19H2,1H3,(H,27,31)(H,28,30)