4-methoxy-N-[[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-piperidyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[1-[[2-(methylthio)pyrimidin-5-yl]methyl]-3-piperidyl]methyl]benzenesulfonamide Formula: C19H26N4O3S2 MolecularWeight: 422.56474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H26N4O3S2/c1-26-17-5-7-18(8-6-17)28(24,25)22-12-15-4-3-9-23(13-15)14-16-10-20-19(27-2)21-11-16/h5-8,10-11,15,22H,3-4,9,12-14H2,1-2H3