N-(4-methylphenyl)-2-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-[(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[2-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(5-morpholinosulfonyl-2-pyrrolidino-anilino)ethyl]thio]-N-(p-tolyl)acetamide Formula: C25H32N4O5S2 MolecularWeight: 532.67538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C25H32N4O5S2/c1-19-4-6-20(7-5-19)26-24(30)17-35-18-25(31)27-22-16-21(8-9-23(22)28-10-2-3-11-28)36(32,33)29-12-14-34-15-13-29/h4-9,16H,2-3,10-15,17-18H2,1H3,(H,26,30)(H,27,31)