4-methoxy-2,3,6-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-2,3,6-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]benzenesulfonamide Openeye Name: 4-methoxy-2,3,6-trimethyl-N-[(1-pyrimidin-2-yl-3-piperidyl)methyl]benzenesulfonamide CAS Name: 4-methoxy-2,3,6-trimethyl-N-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-2,3,6-trimethyl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]benzenesulfonamide Traditional Name: 4-methoxy-2,3,6-trimethyl-N-[[1-(2-pyrimidyl)-3-piperidyl]methyl]benzenesulfonamide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NCC2CCCN(C2)C3=NC=CC=N3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NCC2CCCN(C2)C3=NC=CC=N3)C)C)OC

InChI

InChI=1S/C20H28N4O3S/c1-14-11-18(27-4)15(2)16(3)19(14)28(25,26)23-12-17-7-5-10-24(13-17)20-21-8-6-9-22-20/h6,8-9,11,17,23H,5,7,10,12-13H2,1-4H3