N-(2-methoxyethyl)-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-methoxyethyl)-5-(2-phenylsulfanylethanoylamino)-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-methoxyethyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-yl-benzamide CAS Name: N-(2-methoxyethyl)-5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-methoxyethyl)-5-[(2-phenylsulfanylacetyl)amino]-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-methoxyethyl)-5-[[2-(phenylthio)acetyl]amino]-2-pyrrolidino-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

COCCNC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C22H27N3O3S/c1-28-14-11-23-22(27)19-15-17(9-10-20(19)25-12-5-6-13-25)24-21(26)16-29-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,23,27)(H,24,26)