N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-[[2-(1-naphthalenylamino)-2-oxoethyl]thio]acetamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(1-naphthylamino)ethyl]thio]-N-[4-(4-mesylpiperazino)phenyl]acetamide Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H28N4O4S2/c1-35(32,33)29-15-13-28(14-16-29)21-11-9-20(10-12-21)26-24(30)17-34-18-25(31)27-23-8-4-6-19-5-2-3-7-22(19)23/h2-12H,13-18H2,1H3,(H,26,30)(H,27,31)