N,N-diethyl-4-methoxy-3-[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-methoxy-3-[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-4-methoxy-3-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-methoxy-3-[4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-methoxy-3-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-4-methoxy-3-[4-[2-(phenylthio)acetyl]piperazino]benzenesulfonamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S2/c1-4-26(5-2)32(28,29)20-11-12-22(30-3)21(17-20)24-13-15-25(16-14-24)23(27)18-31-19-9-7-6-8-10-19/h6-12,17H,4-5,13-16,18H2,1-3H3