4-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Openeye Name: 4-methoxy-N-[3-methylsulfanyl-1-(4-pyrazin-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide CAS Name: 4-methoxy-N-[4-(methylthio)-1-oxo-1-[4-(2-pyrazinyl)-1-piperazinyl]butan-2-yl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[4-methylsulfanyl-1-oxo-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-2-yl]benzenesulfonamide Traditional Name: 4-methoxy-N-[3-(methylthio)-1-(4-pyrazin-2-ylpiperazine-1-carbonyl)propyl]benzenesulfonamide Formula: C20H27N5O4S2 MolecularWeight: 465.58948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C20H27N5O4S2/c1-29-16-3-5-17(6-4-16)31(27,28)23-18(7-14-30-2)20(26)25-12-10-24(11-13-25)19-15-21-8-9-22-19/h3-6,8-9,15,18,23H,7,10-14H2,1-2H3